2-Methyl-5-phenylbenzoxazole

C₁₄H₁₁NOCAS 61931-68-8209.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₁NO
Molar mass: 209.25 g/mol
Exact mass: 209.0841 Da
Melting point: 60.2–61.4 °C
Boiling point: 158 °C (at NaN Torr)
logP: 3.80Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed97.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

61931-68-8

SMILES

Cc1nc2cc(-c3ccccc3)ccc2o1

InChIKey

CHZDPBVCBBQQRP-UHFFFAOYSA-N

InChI

InChI=1S/C14H11NO/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzoxazole, 2-methyl-5-phenyl-
5-Phenyl-2-methylbenzoxazole
2-Methyl-5-phenylbenzo[d]oxazole
2-Methyl-5-phenyl-1,3-benzoxazole

Work with 2-Methyl-5-phenylbenzoxazole

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-Methylbenzoxazole95-21-659 % similar 2,5-Dimethylbenzoxazole5676-58-459 % similar 2-Methylnaphth[2,3-d]oxazole20686-66-257 % similar 5-Chloro-2-methylbenzoxazole19219-99-956 % similar 2,5,6-Trimethylbenzoxazole19219-98-849 % similar 2-Methyl-5-phenylbenzothiazole71215-89-946 % similar 2-Methyl-1,3-benzoxazol-6-amine5676-60-844 % similar 2-Methylnaphth[1,2-d]oxazole85-15-443 % similar

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

Same formula

DE(5-carboxamide)oxcarbazepine21737-58-6 2-Phenoxyphenylacetonitrile25562-98-5 1,3-Dihydro-1-phenyl-2H-indol-2-one3335-98-6 (3-Phenoxyphenyl)acetonitrile51632-29-2 4-Benzyloxybenzonitrile52805-36-4 N-Methylacridone719-54-0 4-Phenoxyphenylacetonitrile92163-15-0

Elsewhere

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