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

C₁₀H₉ClN₂O₂CAS 175205-61-5224.64 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₀H₉ClN₂O₂
Molar mass: 224.64 g/mol
Exact mass: 224.0353 Da
logP: 2.48Crippen estimate
Polar surface area: 48.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% 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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number

175205-61-5

SMILES

COc1ccccc1-c1nc(CCl)no1

InChIKey

ZOWLLEBVXDSRDI-UHFFFAOYSA-N

InChI

InChI=1S/C10H9ClN2O2/c1-14-8-5-3-2-4-7(8)10-12-9(6-11)13-15-10/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

1 names

1,2,4-Oxadiazole, 3-(chloromethyl)-5-(2-methoxyphenyl)-

Work with 3-(Chloromethyl)-5-(2-methoxyphenyl)-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-phenyl-1,2,4-oxadiazole1201-68-956 % similar 2-Methoxybenzyl chloride7035-02-146 % similar 2,2'-Dimethoxybiphenyl4877-93-446 % similar 3-(Chloromethyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole175205-84-243 % similar 3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole175205-63-742 % similar 2-Methoxybiphenyl86-26-041 % similar 1-(Chloromethyl)-2,3-dimethoxybenzene3893-01-440 % similar 2-(Chloromethyl)-4,6-dimethoxypyrimidine114108-86-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-2-ethylimidazo(1,2-a)pyridine-3-carboxylic acid1216142-18-5 4-Chloro-6,7-dimethoxyquinazoline13790-39-1 2-Chloro-6,7-dimethoxyquinazoline94644-47-0

Elsewhere

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