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

C₁₀H₉ClN₂OCAS 287197-95-9208.64 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₉ClN₂O
Molar mass: 208.64 g/mol
Exact mass: 208.0403 Da
logP: 2.78Crippen 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

287197-95-9

SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)CCl

InChIKey

JDAULQMOFMANSL-UHFFFAOYSA-N

InChI

InChI=1S/C10H9ClN2O/c1-7-2-4-8(5-3-7)10-13-12-9(6-11)14-10/h2-5H,6H2,1H3

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Names and synonyms

1 names

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

Work with 2-Chloromethyl-5-(4-methylphenyl)-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-methyl-1,3,4-oxadiazole3914-42-947 % similar 4-Methylbenzyl chloride104-82-542 % similar 2,5-Dimethylbenzyl chloride824-45-338 % similar 2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole852-38-037 % similar Di-p-tolyl613-33-237 % similar 4,4'-(1,3,4-Oxadiazole-2,5-diyl)dianiline2425-95-836 % similar 5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole723286-98-436 % similar 2,5-Diphenyl-1,3,4-oxadiazole725-12-235 % similar

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

Same formula

1-(4-Chlorophenyl)-3-methyl-5-pyrazolone13024-90-3 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone14580-22-4 1-(3-Chlorophenyl)-3-methyl-5-pyrazolone90-31-3

Elsewhere

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