KRM-II-81

Molecular structure via molpic based on CDK

Conformer []
Conformer structure via JSmol

Physical properties []
Molecular mass	351.4 g/mol [1]
Predicted LogP	2.4 [1]

Structural Identifiers []
Molecular formula	C21H13N5O [1]
IUPAC name	5-(8-ethynyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,3-oxazole [1]
SMILES	C#CC1=CC2=C(C=C1)N3C=NC(=C3CN=C2C4=CC=CC=N4)C5=CN=CO5 [1]
InChI	InChI=1S/C21H13N5O/c1-2-14-6-7-17-15(9-14)20(16-5-3-4-8-23-16)24-10-18-21(25-12-26(17)18)19-11-22-13-27-19/h1,3-9,11-13H,10H2 [1]
InChIKey	KNCUEWYWBUIFTQ-UHFFFAOYSA-N [1]

KRM-II-81

KRM-II-81 (also known as 2014348-91-3 or 5-(8-ethynyl-6-(pyridin-2-yl)-4H-benzo[f]imidazo[1,5-a][1,4]diazepin-3-yl)oxazole) is a substance of the imidazobenzodiazepine class.