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

C₉H₆Cl₂N₂OCAS 57238-75-2229.06 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₉H₆Cl₂N₂O
Molar mass: 229.06 g/mol
Exact mass: 227.9857 Da
logP: 3.13Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

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

57238-75-2

SMILES

C1=CC(=CC=C1C2=NOC(=N2)CCl)Cl

InChIKey

BJVYSQGEJHKTBW-UHFFFAOYSA-N

InChI

InChI=1S/C9H6Cl2N2O/c10-5-8-12-9(13-14-8)6-1-3-7(11)4-2-6/h1-4H,5H2

Weigh it out

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

Work with 5-(Chloromethyl)-3-(4-chlorophenyl)-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

4-Chlorobenzyl chloride104-83-639 % similar 5-Chloro-2-(chloromethyl)pyridine10177-24-938 % similar Oxolamine959-14-837 % similar 4,4′-Dichlorobiphenyl2050-68-237 % similar 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone258506-49-935 % similar 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole1201-68-933 % similar 4-(4-Chlorophenyl)-2(1H)-pyrimidinethione175203-08-433 % similar 2-(4-Chlorophenyl)pyridine5969-83-533 % similar

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

Same formula

2,4-Dichloro-6-methoxyquinazoline105763-77-7 2,3-Dichloro-6-methoxyquinoxaline39267-04-4 2,4-Dichloro-8-methoxyquinazoline61948-60-5 2,4-Dichloro-7-methoxyquinazoline62484-31-5

Elsewhere

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