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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

Sulfisoxazole, 99%, Thermo Scientific Chemicals

CAS: 127-69-5 Molecular Formula: C11H13N3O3S Molecular Weight (g/mol): 267.3 InChI Key: NHUHCSRWZMLRLA-UHFFFAOYSA-N Synonym: sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole PubChem CID: 5344 ChEBI: CHEBI:102484 IUPAC Name: 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N

PubChem CID 5344
CAS 127-69-5
Molecular Weight (g/mol) 267.3
ChEBI CHEBI:102484
SMILES CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
Synonym sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole
IUPAC Name 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
InChI Key NHUHCSRWZMLRLA-UHFFFAOYSA-N
Molecular Formula C11H13N3O3S
2

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
3

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
4

3-Hydroxy-5-methylisoxazole, 97%

CAS: 10004-44-1 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.089 MDL Number: MFCD00144468 InChI Key: KGVPNLBXJKTABS-UHFFFAOYSA-N Synonym: hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone PubChem CID: 24781 ChEBI: CHEBI:5827 IUPAC Name: 5-methyl-1,2-oxazol-3-one SMILES: CC1=CC(=O)NO1

PubChem CID 24781
CAS 10004-44-1
Molecular Weight (g/mol) 99.089
ChEBI CHEBI:5827
MDL Number MFCD00144468
SMILES CC1=CC(=O)NO1
Synonym hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone
IUPAC Name 5-methyl-1,2-oxazol-3-one
InChI Key KGVPNLBXJKTABS-UHFFFAOYSA-N
Molecular Formula C4H5NO2
5

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
6

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
7

5-Amino-3-methylisoxazole, 98%

CAS: 14678-02-5 Molecular Formula: C4H6N2O Molecular Weight (g/mol): 98.105 MDL Number: MFCD00003151 InChI Key: FNXYWHTZDAVRTB-UHFFFAOYSA-N Synonym: 5-amino-3-methylisoxazole,3-methylisoxazol-5-amine,5-isoxazolamine, 3-methyl,3-methyl-5-isoxazolamine,unii-0g66r1h4rw,3-methyl-isoxazol-5-ylamine,3-methylisoxazole-5-ylamine,3-methylisoxazole-5-amine,acmc-209yk8,3-methylisooxazole-5-amine PubChem CID: 84590 IUPAC Name: 3-methyl-1,2-oxazol-5-amine SMILES: CC1=NOC(=C1)N

PubChem CID 84590
CAS 14678-02-5
Molecular Weight (g/mol) 98.105
MDL Number MFCD00003151
SMILES CC1=NOC(=C1)N
Synonym 5-amino-3-methylisoxazole,3-methylisoxazol-5-amine,5-isoxazolamine, 3-methyl,3-methyl-5-isoxazolamine,unii-0g66r1h4rw,3-methyl-isoxazol-5-ylamine,3-methylisoxazole-5-ylamine,3-methylisoxazole-5-amine,acmc-209yk8,3-methylisooxazole-5-amine
IUPAC Name 3-methyl-1,2-oxazol-5-amine
InChI Key FNXYWHTZDAVRTB-UHFFFAOYSA-N
Molecular Formula C4H6N2O
9

5-Methyl-3-phenylisoxazole-4-carbonyl chloride, 90%, Thermo Scientific™

CAS: 16883-16-2 Molecular Formula: C11H8ClNO2 Molecular Weight (g/mol): 221.64 MDL Number: MFCD00052205 InChI Key: HXEVQMXCHCDPSO-UHFFFAOYSA-N Synonym: 5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452 PubChem CID: 85624 IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl

PubChem CID 85624
CAS 16883-16-2
Molecular Weight (g/mol) 221.64
MDL Number MFCD00052205
SMILES CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl
Synonym 5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452
IUPAC Name 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride
InChI Key HXEVQMXCHCDPSO-UHFFFAOYSA-N
Molecular Formula C11H8ClNO2
10

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
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

(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
13

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
14

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
15

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