Benzoxazole
Properties
- Molecular formula
- C7H5NO
- Molar mass
- 119.12 g/mol
- Exact mass
- 119.0371 Da
- Melting point
- 31 °C
- Boiling point
- 182.5 °C
- logP
- 1.83Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H228 Flammable solid10% of notifiers
- H302 Harmful if swallowed78.3% of notifiers
- H315 Causes skin irritation93.3% of notifiers
- H319 Causes serious eye irritation93.3% of notifiers
- H332 Harmful if inhaled21.7% of notifiers
- H335 May cause respiratory irritation91.7% of notifiers
Aggregated from 60 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501
Identifiers
CAS number
273-53-0SMILES
c1ccc2ocnc2c1InChIKey
BCMCBBGGLRIHSE-UHFFFAOYSA-NInChI
InChI=1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 1-Oxa-3-azaindene
- 1-Oxa-3-aza-1H-indene
- NSC 3982
- Benzo[d]oxazole
- 1,3-Benzoxazole
Work with Benzoxazole
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
5-Methylbenzoxazole10531-78-948 % similar
5-Bromo-benzooxazole132244-31-648 % similar
5-Chlorobenzoxazole17200-29-248 % similar
1,3-Benzoxazol-6-amine177492-52-348 % similar
Quinoxaline91-19-039 % similar
2,1,3-Benzoxadiazole273-09-638 % similar
1,4-Bis(2-benzoxazolyl)naphthalene5089-22-538 % similar
2-Mercaptobenzoxazole2382-96-937 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds