2-Methylbenzoxazole (C8H7NO)

2-Methylbenzoxazole presents a C8 framework, aromatic rings (formula C8H7NO, CAS 95-21-6). ChemicalHelper Reaction can propose ranked disconnections for 2-Methylbenzoxazole from the SMILES Cc1nc2ccccc2o1.

Target: 2-Methylbenzoxazole
CAS: 95-21-6
Formula: C8H7NO
Approx. MW: 133.15
SMILES: Cc1nc2ccccc2o1
PubChem CID: 7225
Approx. carbons: C8

2-Methylbenzoxazole structure

Properties

IUPAC name: 2-methyl-1,3-benzoxazole
Common names: 2-Methylbenzoxazole; 95-21-6; 2-Methyl-1,3-benzoxazole; 2-Methylbenzoxazol; BENZOXAZOLE, 2-METHYL-; 2-Methyl-4,5-benzo-oxazole; NSC-3824; Z0P021V3TI; CHEBI:51603; DTXSID50870432
Molecular weight: 133.15
Exact mass: 133.05
InChIKey: DQSHFKPKFISSNM-UHFFFAOYSA-N
Melting point: 9.5 °C
Boiling point: 199 °C
Density: 1.109-1.115

View on PubChem

2-Methylbenzoxazole 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-Methylbenzoxazole?

2-Methylbenzoxazole has molecular formula C8H7NO. Molecular weight about 133.15 g·mol⁻¹.

What is the CAS number of 2-Methylbenzoxazole?

The CAS Registry Number for 2-Methylbenzoxazole is 95-21-6.

Run AI retrosynthesis for 2-Methylbenzoxazole Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C8H7NO.

Related targets

Similar compounds

o-Tolyl isocyanate (1-Bromoethyl)benzene (2-Chloroethoxy)benzene (2-Chloroethyl)benzene (Chloroethynyl)benzene (Ethylsulfonyl)benzene

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References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.