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

C9H7ClN2OCAS 1201-68-9194.62 g/mol

Open in Covalent MOL file
NNOCl
Alkyl halide

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole175205-84-262 % similar 3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole175205-63-760 % similar 3-(Chloromethyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole175205-61-556 % similar 4-(Chloromethyl)-2-phenyl-1,3-oxazole30494-97-450 % 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

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 4-Chloro-7-methoxyquinazoline55496-52-1

Elsewhere

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