3-(Chloromethyl)-5-methyl-1,2-oxazole

C₅H₆ClNOCAS 35166-37-1131.56 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₆ClNO
Molar mass: 131.56 g/mol
Exact mass: 131.0138 Da
logP: 1.72Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 0 / 2
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

35166-37-1

SMILES

CC1=CC(=NO1)CCl

InChIKey

FEXTXBAFBURKGS-UHFFFAOYSA-N

InChI

InChI=1S/C5H6ClNO/c1-4-2-5(3-6)7-8-4/h2H,3H2,1H3

Weigh it out

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

Names and synonyms

1 names

3-(Chloromethyl)-5-methylisoxazole

Work with 3-(Chloromethyl)-5-methyl-1,2-oxazole

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-Methyl-1,2-oxazol-3-yl)methanol35166-33-759 % similar 3,5-Dimethylisoxazole300-87-848 % similar 3-Hydroxy-5-methylisoxazole10004-44-143 % similar 5-Methyl-3-isoxazolecarbonyl chloride39499-34-840 % similar 5-Methyl-1,2-oxazole-3-carbaldehyde62254-74-439 % similar 3-(Chloromethyl)-1,5-dimethyl-1H-pyrazole180519-09-937 % similar 5-Methyl-3-isoxazolecarboxylic acid3405-77-436 % similar 4-(Chloromethyl)-3,5-dimethylisoxazole19788-37-535 % similar

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

Elsewhere

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