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Molecule record

1,2-oxazole-3-carbonitrile

C4H2N2O

94.07 g/mol

Loading structure

Molecular properties

Formula
C4H2N2O
Molar mass
94.07 g·mol−1
Exact mass
94.0167 Da
5
PubChem CID
22624610

Functional groups

Nitrile

Physical properties

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

Common names and synonyms

  • 3-CYANOISOXAZOLE
  • 3-Isoxazolecarbonitrile
  • 68776-57-8
  • AKOS012323504
  • AMY3701
  • CS-0044102
  • Cyano-isoxazole
  • Cyanoisoxazole
Show all 23 synonyms
  • DB-003381
  • DTXCID20577789
  • DTXSID20627036
  • EN300-96816
  • F226036
  • ISOXAZOLE-3-CARBONITRILE
  • MFCD09833404
  • P10777
  • PB327
  • PB32775
  • RefChem:216398
  • SCHEMBL1820019
  • SCHEMBL1822348
  • SCHEMBL2043653
  • isoxazole-3-carbonitrile, AldrichCPR

Structure identifiers

Canonical SMILES
N#Cc1ccon1
Isomeric SMILES
C1=CON=C1C#N
InChI
InChI=1S/C4H2N2O/c5-3-4-1-2-7-6-4/h1-2H
InChIKey
QUBXULZTCLXFRV-UHFFFAOYSA-N
PubChem CID
22624610

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 1,2-oxazole-3-carbonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1,2-oxazole-3-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
1,2-oxazole-3-carbonitrile - Formula, Structure | ChemArche