3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[4-(trifluoromethoxy)phenyl]thiourea

3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[4-(trifluoromethoxy)phenyl]thiourea

CAS: 1024126-29-1

Formula: C19H13ClF3N3O3S

SMILES: CC1=C(C(=O)NC(=S)NC2=CC=C(OC(F)(F)F)C=C2)C(=NO1)C1=C(Cl)C=CC=C1

IUPAC: 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[4-(trifluoromethoxy)phenyl]thiourea

InChI: InChI=1S/C19H13ClF3N3O3S/c1-10-15(16(26-29-10)13-4-2-3-5-14(13)20)17(27)25-18(30)24-11-6-8-12(9-7-11)28-19(21,22)23/h2-9H,1H3,(H2,24,25,27,30)

Composition: C (50.06%), H (2.87%), Cl (7.78%), F (12.50%), N (9.22%), O (10.53%), S (7.03%)

Molar Mass: 455.84

Atom Count: 43

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	455.0318247
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FWJYJTAJPWLCCM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	107.06
Topological Polar Surface Area	76.39
Polarizability	41.56
Ring Count	3
Rotatable Bond Count	5

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90%	<2 Days	1024126-29-1		$51.35-$86.31$51.35$63.37$86.31