Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Comptes Rendus des Seances de l’Academie des Sciences, Serie C: Sciences Chimiques called Dipole moments and electron distribution of some benzazole heterocycles, Author is Galy, Anne Marie; Llinares, Jeannine; Galy, Jean Pierre; Barbe, Jacques, which mentions a compound: 6797-13-3, SMILESS is CCC1=NC2=CC=CC=C2O1, Molecular C9H9NO, Formula: C9H9NO.
The dipole moments of 2-substituted benzoxazoles (I; X = O, R = H, Me, Et, MeS, NH2, NHEt, CN, Ph), benzothiazoles (I; X = S, R = Me, MeS, MeO, NH2, Me2N, CN) and II (Z = O, R1 = H, Me; Z = S, R1 = Me) were measured in C6H6 and compared with values calculated by a vectorial mol. increment method. The results indicate a slight delocalization of the C(2)-N(3) double bond. Benzoxazolone is in tautomeric equilibrium
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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem