4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide

4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide

CAS: 439109-65-6

Formula: C22H18N4O3

SMILES: CC1=C(C(=O)C2=CNC(=C2)C(=O)NCC2=NC=CC=C2)C(=NO1)C1=CC=CC=C1

IUPAC: 4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[(pyridin-2-yl)methyl]-1H-pyrrole-2-carboxamide

InChI: InChI=1S/C22H18N4O3/c1-14-19(20(26-29-14)15-7-3-2-4-8-15)21(27)16-11-18(24-12-16)22(28)25-13-17-9-5-6-10-23-17/h2-12,24H,13H2,1H3,(H,25,28)

Composition: C (68.38%), H (4.70%), N (14.50%), O (12.42%)

Molar Mass: 386.411

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	386.137890456
Formal Charge	0
FSP3	0.09
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ASQPEPIWUCTSON-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.53
Topological Polar Surface Area	100.88
Polarizability	41.76
Ring Count	4
Rotatable Bond Count	6

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90%	<2 Days	439109-65-6		$51.35-$524.40$51.35$63.37$86.31$524.40