2-Methylnaphth[1,2-d]oxazole
Properties
- Molecular formula
- C12H9NO
- Molar mass
- 183.21 g/mol
- Exact mass
- 183.0684 Da
- Melting point
- 27 °C
- Boiling point
- 312 °C
- logP
- 3.29Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
85-15-4SMILES
Cc1nc2c(ccc3ccccc32)o1InChIKey
JCTNVNANPZAULC-UHFFFAOYSA-NInChI
InChI=1S/C12H9NO/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8/h2-7H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Naphth[1,2-d]oxazole, 2-methyl-
- 2-Methyl-4,5-benzobenzoxazole
- 2-Methylnaphtho[1,2-d]oxazole
- 2-Methylnaphtho[1,2-d][1,3]oxazole
Work with 2-Methylnaphth[1,2-d]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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Methylbenzoxazole95-21-647 % similar
2-Methylnaphtho[1,2-d]thiazole2682-45-344 % similar
2-Methyl-5-phenylbenzoxazole61931-68-843 % similar
Benzo(b)naphtho(1,2-d)furan205-39-042 % similar
2-Methyl-4H-3,1-benzoxazin-4-one525-76-841 % similar
Benzo[h]quinoline230-27-340 % similar
2,5-Dimethylbenzoxazole5676-58-439 % similar
Phenanthrene85-01-838 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.