4-(Chloromethyl)-2-phenyl-1,3-oxazole

C₁₀H₈ClNOCAS 30494-97-4193.63 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈ClNO
Molar mass: 193.63 g/mol
Exact mass: 193.0294 Da
logP: 3.08Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H302 Harmful if swallowed50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

30494-97-4

SMILES

C1=CC=C(C=C1)C2=NC(=CO2)CCl

InChIKey

ANSKJZIDWXDAJW-UHFFFAOYSA-N

InChI

InChI=1S/C10H8ClNO/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2

Weigh it out

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

Names and synonyms

1 names

4-Chloromethyl-2-phenyl-oxazole

Work with 4-(Chloromethyl)-2-phenyl-1,3-oxazole

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-oxadiazole1201-68-950 % similar 2,6-Bis(chloromethyl)pyridine3099-28-342 % similar 2,5-Diphenyl-1,3,4-oxadiazole725-12-242 % similar 4-Phenylbenzyl chloride1667-11-439 % similar 2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole852-38-039 % similar 2-(Chloromethyl)imidazo[1,2-A]pyridine57892-76-938 % similar 2-Chloromethylpyridine4377-33-738 % similar 2-Chloro-6-(chloromethyl)pyridine78846-88-537 % similar

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

Same formula

4-Chloro-7-methoxyquinoline68500-37-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook