CAS 33652-90-3

5-Methyl-2-benzoxazolecarbonitrile

Description:

5-Methyl-2-benzoxazolecarbonitrile is an organic compound characterized by its heterocyclic structure, which includes a benzoxazole ring fused with a nitrile group. This compound features a methyl group at the 5-position of the benzoxazole, contributing to its unique chemical properties. It is typically a crystalline solid and may exhibit moderate solubility in organic solvents. The presence of the nitrile functional group imparts notable reactivity, making it useful in various chemical syntheses and applications, including pharmaceuticals and agrochemicals. The compound's molecular structure allows for potential interactions with biological systems, which can be explored for medicinal chemistry purposes. Additionally, its stability under standard conditions makes it a suitable candidate for further research in material science and organic synthesis. As with many heterocycles, the compound may exhibit interesting optical and electronic properties, which can be leveraged in the development of functional materials. Safety data should be consulted for handling and usage, as with all chemical substances.

Formula: C₉H₆N₂O

InChI: InChI=1S/C9H6N2O/c1-6-2-3-8-7(4-6)11-9(5-10)12-8/h2-4H,1H3

InChI key: InChIKey=IAGQIOHKDVMPQZ-UHFFFAOYSA-N

SMILES: C(#N)C=1OC=2C(N1)=CC(C)=CC2

5-Methylbenzo[D]oxazole-2-carbonitrile

CAS: 33652-90-3

Versatile small molecule scaffold

Formula: C₉H₆N₂O

Purity: Min. 95%

Molecular weight: 158.16 g/mol

Ref: 3D-IBA65290