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Molecule record

4-nitro-1,2-oxazole

C3H2N2O3

114.06 g/mol

Loading structure

Molecular properties

Formula
C3H2N2O3
Molar mass
114.06 g·mol−1
Exact mass
114.0065 Da
4
PubChem CID
11332437

Functional groups

Nitro compound

Physical properties

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

Common names and synonyms

  • 1121-13-7
  • 4-NITROISOXAZOLE
  • AB25388
  • AKOS015833299
  • AKOS037629374
  • ALBB-032279
  • CS-0059183
  • DB-012782
Show all 20 synonyms
  • DTXCID40413352
  • DTXSID50462533
  • F076274
  • FN154344
  • GS-4305
  • Isoxazole, 4-nitro-
  • MFCD06638027
  • RefChem:295082
  • SCHEMBL1647821
  • SCHEMBL2038950
  • SCHEMBL2043339
  • SY112593

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1cnoc1
Isomeric SMILES
C1=C(C=NO1)[N+](=O)[O-]
InChI
InChI=1S/C3H2N2O3/c6-5(7)3-1-4-8-2-3/h1-2H
InChIKey
LLLMLGQOFWRRTH-UHFFFAOYSA-N
PubChem CID
11332437

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 4-nitro-1,2-oxazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-nitro-1,2-oxazole; 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