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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

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
2

4-(Bromomethyl)-3-methyl-5-phenylisoxazole, ≥95%, Thermo Scientific™

CAS: 113841-59-1 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.111 MDL Number: MFCD03086124 InChI Key: KCGVZUOBUPWFJC-UHFFFAOYSA-N PubChem CID: 2776518 IUPAC Name: 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole SMILES: CC1=NOC(=C1CBr)C2=CC=CC=C2

PubChem CID 2776518
CAS 113841-59-1
Molecular Weight (g/mol) 252.111
MDL Number MFCD03086124
SMILES CC1=NOC(=C1CBr)C2=CC=CC=C2
IUPAC Name 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole
InChI Key KCGVZUOBUPWFJC-UHFFFAOYSA-N
Molecular Formula C11H10BrNO
3

3,5-Dimethylisoxazole-4-carbonyl chloride, Thermo Scientific™

CAS: 31301-45-8 Molecular Formula: C6H6ClNO2 Molecular Weight (g/mol): 159.569 MDL Number: MFCD00052555 InChI Key: MPYGFFPGJMGVSW-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 3,5-dimethyl,3,5-dimethylisoxazole-4-carbonylchloride,dimethyl-1,2-oxazole-4-carbonyl chloride,3,5-dimethyl-4-isoxazolecarbonyl chloride,pubchem8669,acmc-20a3wc,3,5-dimethylisoxasole-4-carbonyl chloride,3,5-dimethyisoxazole-4-carbonyl chloride,3,5 dimethylisoxazole-4-carbonyl chloride PubChem CID: 2736265 IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C(=NO1)C)C(=O)Cl

PubChem CID 2736265
CAS 31301-45-8
Molecular Weight (g/mol) 159.569
MDL Number MFCD00052555
SMILES CC1=C(C(=NO1)C)C(=O)Cl
Synonym 3,5-dimethylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 3,5-dimethyl,3,5-dimethylisoxazole-4-carbonylchloride,dimethyl-1,2-oxazole-4-carbonyl chloride,3,5-dimethyl-4-isoxazolecarbonyl chloride,pubchem8669,acmc-20a3wc,3,5-dimethylisoxasole-4-carbonyl chloride,3,5-dimethyisoxazole-4-carbonyl chloride,3,5 dimethylisoxazole-4-carbonyl chloride
IUPAC Name 3,5-dimethyl-1,2-oxazole-4-carbonyl chloride
InChI Key MPYGFFPGJMGVSW-UHFFFAOYSA-N
Molecular Formula C6H6ClNO2
4

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
5

3-Methylisoxazole-5-carbonyl chloride, 95%, Thermo Scientific™

CAS: 49783-72-4 Molecular Formula: C5H4ClNO2 Molecular Weight (g/mol): 145.54 MDL Number: MFCD09817464 InChI Key: VUBCNGCMOPTDED-UHFFFAOYSA-N Synonym: 3-methylisoxazole-5-carbonyl chloride,3-methyl-5-isoxazolecarbonyl chloride,5-isoxazolecarbonyl chloride, 3-methyl,aronis23810,3-methylisoxazol-5-carbonyl chloride,3-methyl-isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride, 3-methyl-9ci PubChem CID: 12905099 IUPAC Name: 3-methyl-1,2-oxazole-5-carbonyl chloride SMILES: CC1=NOC(=C1)C(Cl)=O

PubChem CID 12905099
CAS 49783-72-4
Molecular Weight (g/mol) 145.54
MDL Number MFCD09817464
SMILES CC1=NOC(=C1)C(Cl)=O
Synonym 3-methylisoxazole-5-carbonyl chloride,3-methyl-5-isoxazolecarbonyl chloride,5-isoxazolecarbonyl chloride, 3-methyl,aronis23810,3-methylisoxazol-5-carbonyl chloride,3-methyl-isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride, 3-methyl-9ci
IUPAC Name 3-methyl-1,2-oxazole-5-carbonyl chloride
InChI Key VUBCNGCMOPTDED-UHFFFAOYSA-N
Molecular Formula C5H4ClNO2
6

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
8

5-(2-Thienyl)isoxazole-3-carboxylic acid, 95%, Thermo Scientific™

CAS: 763109-71-3 Molecular Formula: C8H5NO3S Molecular Weight (g/mol): 195.192 MDL Number: MFCD04113955 InChI Key: OBTRHBQUXRJHJR-UHFFFAOYSA-N Synonym: 5-thiophen-2-yl isoxazole-3-carboxylic acid,5-thiophen-2-yl-isoxazole-3-carboxylic acid,5-2-thienyl isoxazole-3-carboxylic acid,5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid,5-thien-2-ylisoxazole-3-carboxylic acid,3-isoxazolecarboxylicacid, 5-2-thienyl,5-2-thienyl-3-isoxazolecarboxylic acid,5-2-thienyl isoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-2-thienyl,5-thiophen-2-ylisoxazole-3-carboxylic acid PubChem CID: 3157098 IUPAC Name: 5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid SMILES: C1=CSC(=C1)C2=CC(=NO2)C(=O)O

PubChem CID 3157098
CAS 763109-71-3
Molecular Weight (g/mol) 195.192
MDL Number MFCD04113955
SMILES C1=CSC(=C1)C2=CC(=NO2)C(=O)O
Synonym 5-thiophen-2-yl isoxazole-3-carboxylic acid,5-thiophen-2-yl-isoxazole-3-carboxylic acid,5-2-thienyl isoxazole-3-carboxylic acid,5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid,5-thien-2-ylisoxazole-3-carboxylic acid,3-isoxazolecarboxylicacid, 5-2-thienyl,5-2-thienyl-3-isoxazolecarboxylic acid,5-2-thienyl isoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-2-thienyl,5-thiophen-2-ylisoxazole-3-carboxylic acid
IUPAC Name 5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid
InChI Key OBTRHBQUXRJHJR-UHFFFAOYSA-N
Molecular Formula C8H5NO3S