Molecular properties
- Formula
- C4H5NO
- Molar mass
- 83.09 g·mol−1
- Exact mass
- 83.0371 Da
- 3
- PubChem CID
- 96098
Molecule record
3-methyl-1,2-oxazole
C4H5NO
83.09 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 3-Methyl-isoxazole
- 3-Methylisoxazole
- 3-methylisoxazole analogue
- 30842-90-1
- AKOS006273748
- DTXCID60107347
- DTXSID20184856
- Isoxazole, 3-methyl-
Show all 24 synonyms
- Isoxazole, 3-methyl-(8CI)
- Isoxazole, 3-methyl-(8CI)(9CI)
- MFCD00020814
- NSC 52270
- NSC52270
- P8WZL93LEO
- RefChem:94925
- SCHEMBL101990
- SCHEMBL1313400
- SCHEMBL1568397
- SCHEMBL15881079
- SCHEMBL209946
- SCHEMBL214371
- SCHEMBL6039
- UNII-P8WZL93LEO
- methylisoxazole
Structure identifiers
- Canonical SMILES
- Cc1ccon1
- Isomeric SMILES
- CC1=NOC=C1
- InChI
- InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3
- InChIKey
- CUMCMYMKECWGHO-UHFFFAOYSA-N
- PubChem CID
- 96098
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 3-methyl-1,2-oxazole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-methyl-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.