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Molecule record

3-phenyl-1,2-oxazole

C9H7NO

145.16 g/mol

Loading structure

Molecular properties

Formula
C9H7NO
Molar mass
145.16 g·mol−1
Exact mass
145.0528 Da
7
PubChem CID
136798

Functional groups

Aromatic ring

Physical properties

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

Common names and synonyms

  • 1006-65-1
  • 106-993-8
  • 3-Phenylisoxazol
  • 3-Phenylisoxazole
  • 3-Phenylisoxazole, AldrichCPR
  • 3-phenyl-isoxazole
  • AKOS006271674
  • BS-19048
Show all 24 synonyms
  • CHEMBL3276979
  • CS-0439696
  • DB-006519
  • DTXSID60143422
  • Isoxazole, 3-phenyl-
  • MFCD00464218
  • RefChem:504950
  • SCHEMBL1032317
  • SCHEMBL139209
  • SCHEMBL1672853
  • SCHEMBL20541496
  • SCHEMBL211482
  • SCHEMBL2421467
  • SCHEMBL467328
  • SY391103
  • phenylisoxazole

Structure identifiers

Canonical SMILES
c1ccc(-c2ccon2)cc1
Isomeric SMILES
C1=CC=C(C=C1)C2=NOC=C2
InChI
InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H
InChIKey
ZBRDJMFLJXFIGJ-UHFFFAOYSA-N
PubChem CID
136798

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

Simulated EI mass spectrum

On-demand educational fragmentation for 3-phenyl-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