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

C₁₀H₉ClN₂OCAS 287197-95-9208.64 g/mol

Open in Covalent MOL file

Alkyl halide

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

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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 3-Methyl-1-(3'-chlorophenyl)-2-pyrazolin-5-one90-31-3

Elsewhere

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