N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Formula: C22H21N3O2S

SMILES: CC1=C(C(=O)NC2=C(C#N)C3=C(CCCCCC3)S2)C(=NO1)C1=CC=CC=C1

IUPAC: N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

InChI: InChI=1S/C22H21N3O2S/c1-14-19(20(25-27-14)15-9-5-4-6-10-15)21(26)24-22-17(13-23)16-11-7-2-3-8-12-18(16)28-22/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,24,26)

Composition: C (67.50%), H (5.41%), N (10.73%), O (8.17%), S (8.19%)

Molar Mass: 391.49

Atom Count: 49

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	391.135448102
Formal Charge	0
FSP3	0.32
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NXKOYVAULDCALT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	111.56
Topological Polar Surface Area	78.92
Polarizability	42.3
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H21N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00