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

C₅H₄ClNO₂CAS 67305-24-2145.54 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₄ClNO₂
Molar mass: 145.54 g/mol
Exact mass: 144.9931 Da
logP: 1.36Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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

Type any one amount. The others follow from the molar mass.

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 5-(tert-Butyl)-2-methylfuran-3-carbonyl chloride96543-75-844 % similar Leflunomide75706-12-641 % similar 5-Methyl-3-phenylisoxazole-4-carbonyl chloride16883-16-240 % similar Isoxazole-5-carbonyl chloride62348-13-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Gimeracil103766-25-2 5-Methylisoxazole-3-carbonyl chloride39499-34-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook