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Molecule record

1,3-benzoxazole-2-carbonitrile

C8H4N2O

144.13 g/mol

Loading structure

Molecular properties

Formula
C8H4N2O
Molar mass
144.13 g·mol−1
Exact mass
144.0324 Da
8
PubChem CID
11147793

Functional groups

Aromatic ring
Nitrile

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 2-CYANO-BENZO[D]OXAZOLE
  • 2-cyanobenzoxazole
  • 3313-37-9
  • 819-458-5
  • AKOS006306359
  • AS-36031
  • BDBM50570928
  • Benzo[d]oxazole-2-carbonitrile
Show all 22 synonyms
  • Benzooxazole-2-carbonitrile
  • CHEMBL4873052
  • CS-0199868
  • DAA31337
  • DB-111899
  • DTXSID70456838
  • EBC-612858
  • EN300-190850
  • F050344
  • MFCD11053034
  • NCGC00663800-01
  • RefChem:413877
  • SCHEMBL548913
  • Z1198309541

Structure identifiers

Canonical SMILES
N#Cc1nc2ccccc2o1
Isomeric SMILES
C1=CC=C2C(=C1)N=C(O2)C#N
InChI
InChI=1S/C8H4N2O/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H
InChIKey
WELHBLLMEXKKEH-UHFFFAOYSA-N
PubChem CID
11147793

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1,3-benzoxazole-2-carbonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1,3-benzoxazole-2-carbonitrile; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record