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

C₉H₇ClN₂OCAS 1201-68-9194.62 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₇ClN₂O
Molar mass: 194.62 g/mol
Exact mass: 194.0247 Da
logP: 2.48Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

1201-68-9

SMILES

C1=CC=C(C=C1)C2=NC(=NO2)CCl

InChIKey

VEIXFEJMHJPUBS-UHFFFAOYSA-N

InChI

InChI=1S/C9H7ClN2O/c10-6-8-11-9(13-12-8)7-4-2-1-3-5-7/h1-5H,6H2

Weigh it out

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

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

3-(Chloromethyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole175205-61-556 % similar 4-Phenylbenzyl chloride1667-11-439 % similar 2,5-Diphenyl-1,3,4-oxadiazole725-12-238 % similar Benzyl chloride100-44-735 % similar 2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole852-38-035 % similar 2-Phenylbenzoxazole833-50-135 % similar 5-Methyl-3-phenyl-1,2,4-oxadiazole1198-98-734 % similar 2-(Chloromethyl)-4-methylquinazoline109113-72-634 % similar

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

Same formula

N-(4-Chlorophenyl)-2-cyanoacetamide17722-17-7 4-Chloro-2-(1H-pyrazol-3-yl)phenol18704-67-1

Elsewhere

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