2,5,6-Trimethylbenzoxazole

C₁₀H₁₁NOCAS 19219-98-8161.20 g/mol

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Properties

Molecular formula: C₁₀H₁₁NO
Molar mass: 161.20 g/mol
Exact mass: 161.0841 Da
logP: 2.75Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

19219-98-8

SMILES

Cc1nc2cc(C)c(C)cc2o1

InChIKey

PDVDINPEWGXOHX-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3

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Names and synonyms

4 names

Benzoxazole, 2,5,6-trimethyl-
NSC 73186
2,5,6-Trimethylbenzo[d]oxazole
2,5,6-Trimethyl-1,3-benzoxazole

Work with 2,5,6-Trimethylbenzoxazole

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-Methylnaphth[2,3-d]oxazole20686-66-258 % similar 2,5-Dimethylbenzoxazole5676-58-455 % similar 5-Chloro-2-methylbenzoxazole19219-99-952 % similar 2-Methyl-1,3-benzoxazol-6-amine5676-60-852 % similar 5-Chloro-2-methyl-6-benzoxazolamine323579-00-651 % similar 2-Methylbenzoxazole95-21-650 % similar 2-Methyl-5-phenylbenzoxazole61931-68-849 % similar 2-Methyl-6-nitrobenzoxazole5683-43-244 % similar

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

Same formula

5-Ethoxy-1H-indole10501-17-4 5-Methoxy-2-methylindole1076-74-0 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one1127-74-8 4-Phenyl-2-pyrrolidinone1198-97-6 N-Benzylacrylamide13304-62-6 3-(Methylphenylamino)-2-propenal14189-82-3 1-Acetylindoline16078-30-1 4-Methoxybenzenepropanenitrile22442-48-4

Elsewhere

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