2-Methylbenzoxazole
Properties
- Molecular formula
- C8H7NO
- Molar mass
- 133.15 g/mol
- Exact mass
- 133.0528 Da
- Density
- 1.1294 g/mL (at 20 °C)
- Melting point
- 9.5 °C
- Boiling point
- 200.5 °C
- logP
- 2.14Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Identifiers
CAS number
95-21-6SMILES
Cc1nc2ccccc2o1InChIKey
DQSHFKPKFISSNM-UHFFFAOYSA-NInChI
InChI=1S/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Benzoxazole, 2-methyl-
- 2-Methyl-1,3-benzoxazole
- NSC 3824
- 2-Methylbenzo[d]oxazole
Work with 2-Methylbenzoxazole
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Methylnaphth[2,3-D]oxazole20686-66-260 % similar
2-Methyl-5-phenylbenzoxazole61931-68-859 % similar
2,5-Dimethylbenzoxazole5676-58-457 % similar
5-Chloro-2-methylbenzoxazole19219-99-953 % similar
2-Methyl-4H-3,1-benzoxazin-4-one525-76-853 % similar
2-Mercaptobenzoxazole2382-96-952 % similar
2(3H)-Benzoxazolone59-49-452 % similar
2-Chlorobenzoxazole615-18-952 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds