chempirical

5-Methyl-1,2-oxazole-4-carbonyl chloride

C5H4ClNO2CAS 67305-24-2145.54 g/mol

Open in Covalent MOL file
NOOCl
Acyl halide

Properties

Molecular formula
C5H4ClNO2
Molar mass
145.54 g/mol
Exact mass
144.9931 Da
logP
1.36Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
67305-24-2
SMILES
CC1=C(C=NO1)C(=O)Cl
InChIKey
ZKAQPVQEYCFRTK-UHFFFAOYSA-N
InChI
InChI=1S/C5H4ClNO2/c1-3-4(5(6)8)2-7-9-3/h2H,1H3

Weigh it out

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Names and synonyms

1 names
  • 5-Methyl-4-isoxazolecarbonyl chloride

Work with 5-Methyl-1,2-oxazole-4-carbonyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Methylisoxazole-4-carboxylic acid42831-50-558 % similar Ethyl 5-methylisoxazole-4-carboxylate51135-73-050 % similar 2,5-Dimethyl-3-furancarbonyl chloride50990-93-749 % similar 3,5-Dimethylisoxazole-4-carbonyl chloride31301-45-844 % similar Leflunomide75706-12-641 % similar 5-Methyl-3-phenylisoxazole-4-carbonyl chloride16883-16-240 % similar Isoxazole-5-carbonyl chloride62348-13-440 % similar 2-Methylbenzoyl chloride933-88-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Gimeracil103766-25-2 5-Methyl-3-isoxazolecarbonyl chloride39499-34-8

Elsewhere

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