2-(2-chloro-6-fluorophenyl)-5-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3-oxazole-4-carboxamide

2-(2-chloro-6-fluorophenyl)-5-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3-oxazole-4-carboxamide

CAS: 1450881-55-6

Formula: C21H18ClFN4O4

SMILES: NC(=O)C1=C(NC2=CC=C(C=C2)C(=O)N2CCOCC2)OC(=N1)C1=C(F)C=CC=C1Cl

IUPAC: 2-(2-chloro-6-fluorophenyl)-5-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3-oxazole-4-carboxamide

InChI: InChI=1S/C21H18ClFN4O4/c22-14-2-1-3-15(23)16(14)19-26-17(18(24)28)20(31-19)25-13-6-4-12(5-7-13)21(29)27-8-10-30-11-9-27/h1-7,25H,8-11H2,(H2,24,28)

Composition: C (56.70%), H (4.08%), Cl (7.97%), F (4.27%), N (12.59%), O (14.39%)

Molar Mass: 444.85

Atom Count: 49

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	444.1000609
Formal Charge	0
FSP3	0.19
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	HEDPDFHTQKEORT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	121.28
Topological Polar Surface Area	110.69
Polarizability	42.03
Ring Count	4
Rotatable Bond Count	5

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