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Isoxazoles

Aromatic organic heterocyclic compounds that consist of an azole with a nitrogen atom and an oxygen atom with the formula: C3H3NO.
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1 – 15 of 46 results
1

Isoxazole-5-carbothioamide, 97%, Thermo Scientific™

CAS: 175334-72-2 Molecular Formula: C4H4N2OS Molecular Weight (g/mol): 128.15 MDL Number: MFCD00276995 InChI Key: CEDRGDFENMZKCQ-UHFFFAOYSA-N Synonym: isoxazole-5-carbothioamide,5-isoxazolecarbothioamide,isoxazole-5-carbothioic acid amide,5-isoxazolecarbothioamide 9ci,aminoisoxazol-5-ylmethane-1-thione PubChem CID: 2799515 IUPAC Name: 1,2-oxazole-5-carbothioamide SMILES: NC(=S)C1=CC=NO1

PubChem CID 2799515
CAS 175334-72-2
Molecular Weight (g/mol) 128.15
MDL Number MFCD00276995
SMILES NC(=S)C1=CC=NO1
Synonym isoxazole-5-carbothioamide,5-isoxazolecarbothioamide,isoxazole-5-carbothioic acid amide,5-isoxazolecarbothioamide 9ci,aminoisoxazol-5-ylmethane-1-thione
IUPAC Name 1,2-oxazole-5-carbothioamide
InChI Key CEDRGDFENMZKCQ-UHFFFAOYSA-N
Molecular Formula C4H4N2OS
2

Isoxazole-5-carboxylic acid, 95%, Thermo Scientific™

CAS: 21169-71-1 Molecular Formula: C4H3NO3 Molecular Weight (g/mol): 113.072 MDL Number: MFCD00156151 InChI Key: MIIQJAUWHSUTIT-UHFFFAOYSA-N Synonym: isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h PubChem CID: 2060599 IUPAC Name: 1,2-oxazole-5-carboxylic acid SMILES: C1=C(ON=C1)C(=O)O

PubChem CID 2060599
CAS 21169-71-1
Molecular Weight (g/mol) 113.072
MDL Number MFCD00156151
SMILES C1=C(ON=C1)C(=O)O
Synonym isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h
IUPAC Name 1,2-oxazole-5-carboxylic acid
InChI Key MIIQJAUWHSUTIT-UHFFFAOYSA-N
Molecular Formula C4H3NO3
3

3-(Chloromethyl)-5-methylisoxazole, 97%, Thermo Scientific™

CAS: 35166-37-1 Molecular Formula: C5H6ClNO Molecular Weight (g/mol): 131.56 MDL Number: MFCD00221166 InChI Key: FEXTXBAFBURKGS-UHFFFAOYSA-N Synonym: 3-chloromethyl-5-methylisoxazole,3-chloromethyl-5-methyl-1,2-oxazole,3-chloromethyl-5-methyl-isoxazole,pubchem8710,zlchem 1024,acmc-209idp,3-chloromethyl-5-methyisoxazole,3-choromethyl-5-methylisoxazole,5-methyl-3-chloromethylisoxazole PubChem CID: 2735763 IUPAC Name: 3-(chloromethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CCl)=NO1

PubChem CID 2735763
CAS 35166-37-1
Molecular Weight (g/mol) 131.56
MDL Number MFCD00221166
SMILES CC1=CC(CCl)=NO1
Synonym 3-chloromethyl-5-methylisoxazole,3-chloromethyl-5-methyl-1,2-oxazole,3-chloromethyl-5-methyl-isoxazole,pubchem8710,zlchem 1024,acmc-209idp,3-chloromethyl-5-methyisoxazole,3-choromethyl-5-methylisoxazole,5-methyl-3-chloromethylisoxazole
IUPAC Name 3-(chloromethyl)-5-methyl-1,2-oxazole
InChI Key FEXTXBAFBURKGS-UHFFFAOYSA-N
Molecular Formula C5H6ClNO
4

5-(Bromomethyl)-3-phenylisoxazole, 97%, Thermo Scientific™

CAS: 2039-50-1 Molecular Formula: C10H8BrNO Molecular Weight (g/mol): 238.084 MDL Number: MFCD00159724 InChI Key: ANRMBFFXQKJEIS-UHFFFAOYSA-N PubChem CID: 2748796 IUPAC Name: 5-(bromomethyl)-3-phenyl-1,2-oxazole SMILES: C1=CC=C(C=C1)C2=NOC(=C2)CBr

PubChem CID 2748796
CAS 2039-50-1
Molecular Weight (g/mol) 238.084
MDL Number MFCD00159724
SMILES C1=CC=C(C=C1)C2=NOC(=C2)CBr
IUPAC Name 5-(bromomethyl)-3-phenyl-1,2-oxazole
InChI Key ANRMBFFXQKJEIS-UHFFFAOYSA-N
Molecular Formula C10H8BrNO
5

3-(Bromomethyl)-5-methylisoxazole, 97%, Thermo Scientific™

CAS: 130628-75-0 Molecular Formula: C5H6BrNO Molecular Weight (g/mol): 176.01 MDL Number: MFCD02677720 InChI Key: ASGJFGPILHALRC-UHFFFAOYSA-N Synonym: 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle PubChem CID: 2776304 IUPAC Name: 3-(bromomethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CBr)=NO1

PubChem CID 2776304
CAS 130628-75-0
Molecular Weight (g/mol) 176.01
MDL Number MFCD02677720
SMILES CC1=CC(CBr)=NO1
Synonym 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle
IUPAC Name 3-(bromomethyl)-5-methyl-1,2-oxazole
InChI Key ASGJFGPILHALRC-UHFFFAOYSA-N
Molecular Formula C5H6BrNO
6

5-Methyl-3-isoxazolecarbonitrile, 97%, Thermo Scientific™

CAS: 57351-99-2 Molecular Formula: C5H4N2O Molecular Weight (g/mol): 108.10 MDL Number: MFCD09064940 InChI Key: JTPIMYCMWLOEDD-UHFFFAOYSA-N PubChem CID: 24229456 IUPAC Name: 5-methyl-1,2-oxazole-3-carbonitrile SMILES: CC1=CC(=NO1)C#N

PubChem CID 24229456
CAS 57351-99-2
Molecular Weight (g/mol) 108.10
MDL Number MFCD09064940
SMILES CC1=CC(=NO1)C#N
IUPAC Name 5-methyl-1,2-oxazole-3-carbonitrile
InChI Key JTPIMYCMWLOEDD-UHFFFAOYSA-N
Molecular Formula C5H4N2O
7

Isoxazole-5-carbonyl chloride, TECH, Thermo Scientific™

CAS: 62348-13-4 Molecular Formula: C4H2ClNO2 Molecular Weight (g/mol): 131.52 MDL Number: MFCD00067868 InChI Key: NASLINFISOTVJJ-UHFFFAOYSA-N Synonym: isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride,isoxazole-5-carbonylchloride,isoxazole-5-carboxylic acid chloride,acmc-1bhwq,5-isoxazolecarbonylchloride,isoxazol-5-carbonyl chloride,isoxazole-5-carbonyl-chloride,5-isoxazolecarbonyl chloride 9ci PubChem CID: 2736707 IUPAC Name: 1,2-oxazole-5-carbonyl chloride SMILES: ClC(=O)C1=CC=NO1

PubChem CID 2736707
CAS 62348-13-4
Molecular Weight (g/mol) 131.52
MDL Number MFCD00067868
SMILES ClC(=O)C1=CC=NO1
Synonym isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride,isoxazole-5-carbonylchloride,isoxazole-5-carboxylic acid chloride,acmc-1bhwq,5-isoxazolecarbonylchloride,isoxazol-5-carbonyl chloride,isoxazole-5-carbonyl-chloride,5-isoxazolecarbonyl chloride 9ci
IUPAC Name 1,2-oxazole-5-carbonyl chloride
InChI Key NASLINFISOTVJJ-UHFFFAOYSA-N
Molecular Formula C4H2ClNO2
8

3,4-Dimethylisoxazol-5-amine, 97%, Thermo Scientific™

CAS: 19947-75-2 Molecular Formula: C5H8N2O Molecular Weight (g/mol): 112.132 MDL Number: MFCD00046081 InChI Key: PYNDWPFZDQONDV-UHFFFAOYSA-N Synonym: 5-amino-3,4-dimethylisoxazole,3,4-dimethylisoxazol-5-amine,5-amino-3,4-dimethyl-isoxazole,5-isoxazolamine, 3,4-dimethyl,dimethyl-1,2-oxazol-5-amine,3,4-dimethyl-5-isoxazolamine,5-amino-3,4-dimethyl isoxazole,3,4-dimethylisoxazole-5-ylamine,3,4-dimethylisoxazol-5-ylamine,pubchem8660 PubChem CID: 88317 IUPAC Name: 3,4-dimethyl-1,2-oxazol-5-amine SMILES: CC1=C(ON=C1C)N

PubChem CID 88317
CAS 19947-75-2
Molecular Weight (g/mol) 112.132
MDL Number MFCD00046081
SMILES CC1=C(ON=C1C)N
Synonym 5-amino-3,4-dimethylisoxazole,3,4-dimethylisoxazol-5-amine,5-amino-3,4-dimethyl-isoxazole,5-isoxazolamine, 3,4-dimethyl,dimethyl-1,2-oxazol-5-amine,3,4-dimethyl-5-isoxazolamine,5-amino-3,4-dimethyl isoxazole,3,4-dimethylisoxazole-5-ylamine,3,4-dimethylisoxazol-5-ylamine,pubchem8660
IUPAC Name 3,4-dimethyl-1,2-oxazol-5-amine
InChI Key PYNDWPFZDQONDV-UHFFFAOYSA-N
Molecular Formula C5H8N2O
9

(3-Methylisoxazol-5-yl)methanol, 97%, Thermo Scientific™

CAS: 14716-89-3 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD09859210 InChI Key: OFSDWHRZVRCPBR-UHFFFAOYSA-N Synonym: 3-methylisoxazol-5-yl methanol,3-methyl-1,2-oxazol-5-yl methanol,3-methyl-5-isoxazolemethanol,5-isoxazolemethanol,3-methyl,3-methylisoxazol-5-yl methan-1-ol,3-methylisoxazole-5-methanol,5-isoxazolemethanol, 3-methyl,3-methyl-5-isoxazolyl methanol,5-hydroxymethyl-3-methylisoxazole,5-hydroxymethyl-3-methyl-isoxazole PubChem CID: 10820493 IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methanol SMILES: CC1=NOC(=C1)CO

PubChem CID 10820493
CAS 14716-89-3
Molecular Weight (g/mol) 113.116
MDL Number MFCD09859210
SMILES CC1=NOC(=C1)CO
Synonym 3-methylisoxazol-5-yl methanol,3-methyl-1,2-oxazol-5-yl methanol,3-methyl-5-isoxazolemethanol,5-isoxazolemethanol,3-methyl,3-methylisoxazol-5-yl methan-1-ol,3-methylisoxazole-5-methanol,5-isoxazolemethanol, 3-methyl,3-methyl-5-isoxazolyl methanol,5-hydroxymethyl-3-methylisoxazole,5-hydroxymethyl-3-methyl-isoxazole
IUPAC Name (3-methyl-1,2-oxazol-5-yl)methanol
InChI Key OFSDWHRZVRCPBR-UHFFFAOYSA-N
Molecular Formula C5H7NO2
10

Ethyl 5-(chloromethyl)-3-isoxazolecarboxylate, 97%, Thermo Scientific™

CAS: 3209-40-3 Molecular Formula: C7H8ClNO3 Molecular Weight (g/mol): 189.60 MDL Number: MFCD08445409 InChI Key: RNURPQMTRDHCNM-UHFFFAOYSA-N Synonym: ethyl 5-chloromethyl isoxazole-3-carboxylate,ethyl 5-chloromethyl-3-isoxazolecarboxylate,ethyl 5-chloromethyl-1,2-oxazole-3-carboxylate,ethyl 5-chloromethylisoxazole-3-carboxylate,5-chloromethyl-isoxazole-3-carboxylic acid ethyl ester,ehyl 5-chloromethyl-1,2-oxazole-3-carboxylate,3-isoxazolecarboxylicacid, 5-chloromethyl-, ethyl ester PubChem CID: 14674306 IUPAC Name: ethyl 5-(chloromethyl)-1,2-oxazole-3-carboxylate SMILES: CCOC(=O)C1=NOC(CCl)=C1

PubChem CID 14674306
CAS 3209-40-3
Molecular Weight (g/mol) 189.60
MDL Number MFCD08445409
SMILES CCOC(=O)C1=NOC(CCl)=C1
Synonym ethyl 5-chloromethyl isoxazole-3-carboxylate,ethyl 5-chloromethyl-3-isoxazolecarboxylate,ethyl 5-chloromethyl-1,2-oxazole-3-carboxylate,ethyl 5-chloromethylisoxazole-3-carboxylate,5-chloromethyl-isoxazole-3-carboxylic acid ethyl ester,ehyl 5-chloromethyl-1,2-oxazole-3-carboxylate,3-isoxazolecarboxylicacid, 5-chloromethyl-, ethyl ester
IUPAC Name ethyl 5-(chloromethyl)-1,2-oxazole-3-carboxylate
InChI Key RNURPQMTRDHCNM-UHFFFAOYSA-N
Molecular Formula C7H8ClNO3
11

5-chlorobenzo[d]isoxazol-3-ol, Thermo Scientific™

CAS: 24603-63-2 Molecular Formula: C7H4ClNO2 Molecular Weight (g/mol): 169.564 InChI Key: WIZWHBRFTCYPDN-UHFFFAOYSA-N Synonym: 5-chlorobenzo d isoxazol-3-ol,5-chloro-3-hydroxybenzisoxazole,5-chloro-1,2-benzoxazol-3-ol,5-chloro-1,2-benzisoxazol-3 2h-one,1,2-benzisoxazol-3 2h-one, 5-chloro,5-chloro-2h-1,2-benzoxazol-3-one,pubchem24257,5-chloro-benzo d isoxazol-3-ol,5-chloro-benzo d isoxazol-3-one,5-chlorobenzo d isoxazol-3 2h-one PubChem CID: 3714169 IUPAC Name: 5-chloro-1,2-benzoxazol-3-one SMILES: C1=CC2=C(C=C1Cl)C(=O)NO2

PubChem CID 3714169
CAS 24603-63-2
Molecular Weight (g/mol) 169.564
SMILES C1=CC2=C(C=C1Cl)C(=O)NO2
Synonym 5-chlorobenzo d isoxazol-3-ol,5-chloro-3-hydroxybenzisoxazole,5-chloro-1,2-benzoxazol-3-ol,5-chloro-1,2-benzisoxazol-3 2h-one,1,2-benzisoxazol-3 2h-one, 5-chloro,5-chloro-2h-1,2-benzoxazol-3-one,pubchem24257,5-chloro-benzo d isoxazol-3-ol,5-chloro-benzo d isoxazol-3-one,5-chlorobenzo d isoxazol-3 2h-one
IUPAC Name 5-chloro-1,2-benzoxazol-3-one
InChI Key WIZWHBRFTCYPDN-UHFFFAOYSA-N
Molecular Formula C7H4ClNO2
12

5-Methyl-4-isoxazolesulfonyl chloride, 95%, Thermo Scientific™

CAS: 321309-26-6 Molecular Formula: C4H4ClNO3S Molecular Weight (g/mol): 181.59 MDL Number: MFCD02681975 InChI Key: STYUNYVEEFPQMF-UHFFFAOYSA-N Synonym: 5-methyl-4-isoxazolesulfonyl chloride,5-methylisoxazole-4-sulfonyl chloride,4-isoxazolesulfonyl chloride, 5-methyl,4-chlorosulfonyl-5-methylisoxazole,chloro 5-methylisoxazol-4-yl sulfone,4-chlorosulphonyl-5-methylisoxazole,4-isoxazolesulfonylchloride, 5-methyl,5-methyl-4-isoxazole sulfonyl chloride,5-methyl-isoxazole-4-sulfonyl chloride,5-methylisoxazole-4-sulphonyl chloride PubChem CID: 2776141 IUPAC Name: 5-methyl-1,2-oxazole-4-sulfonyl chloride SMILES: CC1=C(C=NO1)S(=O)(=O)Cl

PubChem CID 2776141
CAS 321309-26-6
Molecular Weight (g/mol) 181.59
MDL Number MFCD02681975
SMILES CC1=C(C=NO1)S(=O)(=O)Cl
Synonym 5-methyl-4-isoxazolesulfonyl chloride,5-methylisoxazole-4-sulfonyl chloride,4-isoxazolesulfonyl chloride, 5-methyl,4-chlorosulfonyl-5-methylisoxazole,chloro 5-methylisoxazol-4-yl sulfone,4-chlorosulphonyl-5-methylisoxazole,4-isoxazolesulfonylchloride, 5-methyl,5-methyl-4-isoxazole sulfonyl chloride,5-methyl-isoxazole-4-sulfonyl chloride,5-methylisoxazole-4-sulphonyl chloride
IUPAC Name 5-methyl-1,2-oxazole-4-sulfonyl chloride
InChI Key STYUNYVEEFPQMF-UHFFFAOYSA-N
Molecular Formula C4H4ClNO3S
13

3,5-Dimethylisoxazol-4-yl isocyanate, 95%, Thermo Scientific™

CAS: 131825-41-7 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.126 MDL Number: MFCD00119910 InChI Key: JJQYAGYVYNMYGE-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazol-4-yl isocyanate,isoxazole,4-isocyanato-3,5-dimethyl,3,5-dimethylisoxazole-4-isocyanate,4-isocyanato-3,5-dimethylisoxazole,3,5-dimethyl isoxazol-4-yl isocyanate,3,5-dimethylisoxazol-4-ylisocyanate,acmc-20mu97,3,5-dimethylisoxazol-4-isocyanate,3,5-dimethyl-4-isocyanatoisoxazole,4-isocyanato3,5-dimethyl-isoxazole PubChem CID: 2736266 IUPAC Name: 4-isocyanato-3,5-dimethyl-1,2-oxazole SMILES: CC1=C(C(=NO1)C)N=C=O

PubChem CID 2736266
CAS 131825-41-7
Molecular Weight (g/mol) 138.126
MDL Number MFCD00119910
SMILES CC1=C(C(=NO1)C)N=C=O
Synonym 3,5-dimethylisoxazol-4-yl isocyanate,isoxazole,4-isocyanato-3,5-dimethyl,3,5-dimethylisoxazole-4-isocyanate,4-isocyanato-3,5-dimethylisoxazole,3,5-dimethyl isoxazol-4-yl isocyanate,3,5-dimethylisoxazol-4-ylisocyanate,acmc-20mu97,3,5-dimethylisoxazol-4-isocyanate,3,5-dimethyl-4-isocyanatoisoxazole,4-isocyanato3,5-dimethyl-isoxazole
IUPAC Name 4-isocyanato-3,5-dimethyl-1,2-oxazole
InChI Key JJQYAGYVYNMYGE-UHFFFAOYSA-N
Molecular Formula C6H6N2O2
14

(5-Methylisoxazol-3-yl)methanol, 97%, Thermo Scientific™

CAS: 35166-33-7 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.12 MDL Number: MFCD00085129 InChI Key: MDYHWQQHEWDJKR-UHFFFAOYSA-N Synonym: 5-methylisoxazol-3-yl methanol,3-hydroxymethyl-5-methylisoxazole,5-methyl-1,2-oxazol-3-yl methanol,5-methyl-3-isoxazolemethanol,5-methyl-isoxazol-3-yl-methanol,5-methylisoxazole-3-methanol,5-methyl-3-isoxazolyl methanol,5-methyl-isoxazol-3-yl methanol,3-isoxazolemethanol, 5-methyl PubChem CID: 2736567 IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methanol SMILES: CC1=CC(CO)=NO1

PubChem CID 2736567
CAS 35166-33-7
Molecular Weight (g/mol) 113.12
MDL Number MFCD00085129
SMILES CC1=CC(CO)=NO1
Synonym 5-methylisoxazol-3-yl methanol,3-hydroxymethyl-5-methylisoxazole,5-methyl-1,2-oxazol-3-yl methanol,5-methyl-3-isoxazolemethanol,5-methyl-isoxazol-3-yl-methanol,5-methylisoxazole-3-methanol,5-methyl-3-isoxazolyl methanol,5-methyl-isoxazol-3-yl methanol,3-isoxazolemethanol, 5-methyl
IUPAC Name (5-methyl-1,2-oxazol-3-yl)methanol
InChI Key MDYHWQQHEWDJKR-UHFFFAOYSA-N
Molecular Formula C5H7NO2
15

3-methyl-4-isoxazolecarboxylic acid, 97%, Thermo Scientific™

CAS: 17153-20-7 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 InChI Key: YBLSBWHFPXDRHC-UHFFFAOYSA-N Synonym: 3-methylisoxazole-4-carboxylic acid,3-methyl-4-isoxazolecarboxylic acid,3-methyl-4-isoxazolecarboxylicacid,3-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-methyl,3-methylisoxazole-4-carboxylicacid,pubchem10465,acmc-1c78i,3-methylisoxazole-s-carboxylic acid,4-isoxazolecarboxylicacid,3-methyl PubChem CID: 4589692 IUPAC Name: 3-methyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=NOC=C1C(=O)O

PubChem CID 4589692
CAS 17153-20-7
Molecular Weight (g/mol) 127.099
SMILES CC1=NOC=C1C(=O)O
Synonym 3-methylisoxazole-4-carboxylic acid,3-methyl-4-isoxazolecarboxylic acid,3-methyl-4-isoxazolecarboxylicacid,3-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-methyl,3-methylisoxazole-4-carboxylicacid,pubchem10465,acmc-1c78i,3-methylisoxazole-s-carboxylic acid,4-isoxazolecarboxylicacid,3-methyl
IUPAC Name 3-methyl-1,2-oxazole-4-carboxylic acid
InChI Key YBLSBWHFPXDRHC-UHFFFAOYSA-N
Molecular Formula C5H5NO3