Structure via PubChem · Public domain (PubChem)
benzoxazole
Sign in to saveAlso known as 1-Oxa-3-aza-1H-indene, 1-Oxa-3-azaindene
Benzoxazole is an aromatic organic compound with a molecular formula C7H5NO, a benzene-fused oxazole ring structure, and an odor similar to pyridine. Although benzoxazole itself is of little practical value, many derivatives of benzoxazoles are commercially important.
Chemical data
- Formula
- C7H5NO
- Molecular weight
- 119.12 g/mol
- IUPAC name
- 1,3-benzoxazole
- SMILES
- C1=CC=C2C(=C1)N=CO2
- InChIKey
- BCMCBBGGLRIHSE-UHFFFAOYSA-N
- XLogP
- 1.6
- Polar surface area
- 26 Ų
- H-bond donors
- 0
- H-bond acceptors
- 2
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Has part
- carbon
- Mass
- 119.037
Show 7 more facts
- chemical formula
- C₇H₅NO
- Commons category
- Benzoxazole
- found in taxon
- Camellia sinensis
- canonical SMILES
- C1=CC=C2C(=C1)N=CO2
- melting point
- 30.0
- boiling point
- 182.5
- topic's main category
- Category:Benzoxazoles
via Wikidata · CC0
~2 min read
Encyclopedic overview
3 sectionsContents
- Occurrence and applications
- See also
- References
Benzoxazole is an aromatic organic compound with a molecular formula C7H5NO, a benzene-fused oxazole ring structure, and an odor similar to pyridine. Although benzoxazole itself is of little practical value, many derivatives of benzoxazoles are commercially important.
Being a heterocyclic compound, benzoxazole finds use in research as a starting material for the synthesis of larger, usually bioactive structures. Its aromaticity makes it relatively stable, although as a heterocycle, it has reactive sites which allow for functionalization.
Excerpted from Wikipedia’s “benzoxazole” article, available under the CC BY-SA 4.0 licence.