Molecule record

2-methyl-1,3-benzoxazole

C8H7NO

133.15 g/mol

Loading structure

Molecular properties

Formula
C8H7NO
Molar mass
133.15 g·mol−1
Exact mass
133.0528 Da
6
PubChem CID
7225

Functional groups

Alkane / alkyl carbon
Aromatic ring

Physical properties

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

Common names and synonyms

  • 2-Methyl-4,5-benzo-oxazole
  • 2-Methyl-4,5-benzoxazole
  • 2-Methylbenzo[d]oxazole
  • 2-Methylbenzoxazol
  • 2-Methylbenzoxazole
  • 2-Methylbenzoxazole, 99%
  • 2-methyl-benzooxazole
  • 2-methyl-benzoxazole
Show all 24 synonyms
  • 202-399-9
  • 95-21-6
  • AC1636
  • BENZOXAZOLE, 2-METHYL-
  • Benzoxazole, methyl-
  • CHEBI:51603
  • DTXCID90818156
  • DTXSID50870432
  • MFCD00005771
  • NSC-3824
  • NSC3824
  • RefChem:475977
  • SCHEMBL11209434
  • USAF EK-982
  • WLN: T56 BN DOJ C1
  • Z0P021V3TI

Structure identifiers

Canonical SMILES
Cc1nc2ccccc2o1
Isomeric SMILES
CC1=NC2=CC=CC=C2O1
InChI
InChI=1S/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
InChIKey
DQSHFKPKFISSNM-UHFFFAOYSA-N
PubChem CID
7225

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 2-methyl-1,3-benzoxazole; not experimental data.

Simulated EI mass spectrum

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

Sources

Molecule identity

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

Open source record
2-methyl-1,3-benzoxazole - Formula, Structure | ChemArche