2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole

C₄H₅ClN₂OCAS 3914-42-9132.55 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅ClN₂O
Molar mass: 132.55 g/mol
Exact mass: 132.0090 Da
logP: 1.12Crippen estimate
Polar surface area: 38.9 Å²
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

3914-42-9

SMILES

CC1=NN=C(O1)CCl

InChIKey

KJLQSWULHSLSOM-UHFFFAOYSA-N

InChI

InChI=1S/C4H5ClN2O/c1-3-6-7-4(2-5)8-3/h2H2,1H3

Weigh it out

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

Work with 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole

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

2-Chloromethyl-5-(4-methylphenyl)-1,3,4-oxadiazole287197-95-947 % similar 5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole723286-98-445 % similar 5-Methyl-1,3,4-oxadiazol-2-amine52838-39-839 % similar 5-tert-Butyl-2-(chloromethyl)oxazole224441-73-034 % similar 2-Chloromethyloxazole185246-17-732 % similar 4-(Chloromethyl)-5-methyl-1,3-dioxol-2-one80841-78-730 % similar

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

Same formula

2-Pyrimidinone hydrochloride38353-09-2

Elsewhere

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