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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 102 results
1

3-Ethyl-5-methylisoxazole-4-carboxylic acid, 97%

CAS: 17147-85-2 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.153 MDL Number: MFCD03422293 InChI Key: RSWFHHWVFZWIMV-UHFFFAOYSA-N Synonym: 3-ethyl-5-methylisoxazole-4-carboxylic acid,3-ethyl-5-methyl-isoxazole-4-carboxylic acid,3-ethyl-5-methyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl,acmc-1c8pz,4-isoxazolecarboxylicacid,3-ethyl-5-methyl,4-isoxazolecarboxylicacid, 3-ethyl-5-methyl,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl-8ci,9ci PubChem CID: 2063310 IUPAC Name: 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid SMILES: CCC1=NOC(=C1C(=O)O)C

PubChem CID 2063310
CAS 17147-85-2
Molecular Weight (g/mol) 155.153
MDL Number MFCD03422293
SMILES CCC1=NOC(=C1C(=O)O)C
Synonym 3-ethyl-5-methylisoxazole-4-carboxylic acid,3-ethyl-5-methyl-isoxazole-4-carboxylic acid,3-ethyl-5-methyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl,acmc-1c8pz,4-isoxazolecarboxylicacid,3-ethyl-5-methyl,4-isoxazolecarboxylicacid, 3-ethyl-5-methyl,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl-8ci,9ci
IUPAC Name 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
InChI Key RSWFHHWVFZWIMV-UHFFFAOYSA-N
Molecular Formula C7H9NO3
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

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
5

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
6

Ethyl 3-methylisoxazole-4-carboxylate, 97%

CAS: 20328-15-8 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.153 MDL Number: MFCD01075736 InChI Key: AEWHICNMVQOWJE-UHFFFAOYSA-N Synonym: ethyl 3-methylisoxazole-4-carboxylate,ethyl 3-methyl-isoxazole-4-carboxylate,4-isoxazolecarboxylic acid, 3-methyl-, ethyl ester,acmc-20akze,ethyl 3-methyl-4-isoxazolecarboxylate,3-methyl-4-isoxazolecarboxylic acid ethyl ester,3-methyl-isoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylicacid, 3-methyl-, ethyl ester,3-methyl-4-isoxazolecarboxylic acid, ethyl ester,3-methylisoxazole-4-carboxylic acid ethyl ester PubChem CID: 317668 IUPAC Name: ethyl 3-methyl-1,2-oxazole-4-carboxylate SMILES: CCOC(=O)C1=CON=C1C

PubChem CID 317668
CAS 20328-15-8
Molecular Weight (g/mol) 155.153
MDL Number MFCD01075736
SMILES CCOC(=O)C1=CON=C1C
Synonym ethyl 3-methylisoxazole-4-carboxylate,ethyl 3-methyl-isoxazole-4-carboxylate,4-isoxazolecarboxylic acid, 3-methyl-, ethyl ester,acmc-20akze,ethyl 3-methyl-4-isoxazolecarboxylate,3-methyl-4-isoxazolecarboxylic acid ethyl ester,3-methyl-isoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylicacid, 3-methyl-, ethyl ester,3-methyl-4-isoxazolecarboxylic acid, ethyl ester,3-methylisoxazole-4-carboxylic acid ethyl ester
IUPAC Name ethyl 3-methyl-1,2-oxazole-4-carboxylate
InChI Key AEWHICNMVQOWJE-UHFFFAOYSA-N
Molecular Formula C7H9NO3
7

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride, Thermo Scientific™

CAS: 4462-55-9 Molecular Formula: C11H6Cl3NO2 Molecular Weight (g/mol): 290.524 InChI Key: IZQGELJKDARDMZ-UHFFFAOYSA-N Synonym: 3-2,6-dichlorophenyl-5-methylisoxazole-4-carbonyl chloride,dcimc chloride,3-2,6-dichlorophenyl-5-methyl-1,2-oxazole-4-carbonyl chloride,3-2,6-dichlorophenyl-5-methylisoxazole-4-carbonylchloride,4-isoxazolecarbonyl chloride, 3-2,6-dichlorophenyl-5-methyl,3-2,6-dichlorophenyl-5-methylisoxazole-4-carboxylic acid chloride,3-2,6-dichlorophenyl-5-methyl isoxazole-4-carbonyl chloride,pubchem8683,dsstox_cid_31536,dsstox_rid_97421 PubChem CID: 78212 IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)Cl

PubChem CID 78212
CAS 4462-55-9
Molecular Weight (g/mol) 290.524
SMILES CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)Cl
Synonym 3-2,6-dichlorophenyl-5-methylisoxazole-4-carbonyl chloride,dcimc chloride,3-2,6-dichlorophenyl-5-methyl-1,2-oxazole-4-carbonyl chloride,3-2,6-dichlorophenyl-5-methylisoxazole-4-carbonylchloride,4-isoxazolecarbonyl chloride, 3-2,6-dichlorophenyl-5-methyl,3-2,6-dichlorophenyl-5-methylisoxazole-4-carboxylic acid chloride,3-2,6-dichlorophenyl-5-methyl isoxazole-4-carbonyl chloride,pubchem8683,dsstox_cid_31536,dsstox_rid_97421
IUPAC Name 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
InChI Key IZQGELJKDARDMZ-UHFFFAOYSA-N
Molecular Formula C11H6Cl3NO2
9

Ethyl 3,5-dimethylisoxazole-4-carboxylate, 97%

CAS: 17147-42-1 Molecular Formula: C8H11NO3 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00052557 InChI Key: OQRHVDXUJAQVNT-UHFFFAOYSA-N Synonym: ethyl 3,5-dimethylisoxazole-4-carboxylate,ethyl 3,5-dimethyl-4-isoxazolecarboxylate,3,5-dimethylisoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylic acid, 3,5-dimethyl-, ethyl ester,3,5-dimethyl-4-ethoxycarbonyl isoxazole,ethyl 3,5-dimethyl-isoxazole-4-carboxylate,acmc-1c48c,ethyldimethylisoxazolecarboxylate,4-carbethoxy-3,5-dimethylisoxazole,4-carboethoxy-3,5-dimethylisoxazole PubChem CID: 736348 IUPAC Name: ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate SMILES: CCOC(=O)C1=C(ON=C1C)C

PubChem CID 736348
CAS 17147-42-1
Molecular Weight (g/mol) 169.18
MDL Number MFCD00052557
SMILES CCOC(=O)C1=C(ON=C1C)C
Synonym ethyl 3,5-dimethylisoxazole-4-carboxylate,ethyl 3,5-dimethyl-4-isoxazolecarboxylate,3,5-dimethylisoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylic acid, 3,5-dimethyl-, ethyl ester,3,5-dimethyl-4-ethoxycarbonyl isoxazole,ethyl 3,5-dimethyl-isoxazole-4-carboxylate,acmc-1c48c,ethyldimethylisoxazolecarboxylate,4-carbethoxy-3,5-dimethylisoxazole,4-carboethoxy-3,5-dimethylisoxazole
IUPAC Name ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
InChI Key OQRHVDXUJAQVNT-UHFFFAOYSA-N
Molecular Formula C8H11NO3
10

5-Methylisoxazole-3-carboxylic acid, 98+%

CAS: 3405-77-4 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD01318162 InChI Key: BNMPIJWVMVNSRD-UHFFFAOYSA-N Synonym: 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p PubChem CID: 76947 IUPAC Name: 5-methyl-1,2-oxazole-3-carboxylic acid SMILES: CC1=CC(=NO1)C(=O)O

PubChem CID 76947
CAS 3405-77-4
Molecular Weight (g/mol) 127.099
MDL Number MFCD01318162
SMILES CC1=CC(=NO1)C(=O)O
Synonym 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p
IUPAC Name 5-methyl-1,2-oxazole-3-carboxylic acid
InChI Key BNMPIJWVMVNSRD-UHFFFAOYSA-N
Molecular Formula C5H5NO3
11

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
12

Benzo[d]isoxazol-3-ol, ≥95%, Thermo Scientific™

CAS: 21725-69-9 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.122 MDL Number: MFCD00125030 InChI Key: QLDQYRDCPNBPII-UHFFFAOYSA-N Synonym: benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone PubChem CID: 210830 IUPAC Name: 1,2-benzoxazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NO2

PubChem CID 210830
CAS 21725-69-9
Molecular Weight (g/mol) 135.122
MDL Number MFCD00125030
SMILES C1=CC=C2C(=C1)C(=O)NO2
Synonym benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone
IUPAC Name 1,2-benzoxazol-3-one
InChI Key QLDQYRDCPNBPII-UHFFFAOYSA-N
Molecular Formula C7H5NO2
13

Isoxazole-5-carbonyl chloride, 97%

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
14

5-Amino-3,4-dimethylisoxazole, 99%

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
15

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