5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

CAS: 251097-82-2

Formula: C11H9ClF3N3O3

SMILES: OC(=O)C1=NOC(CNC2=C(Cl)C=C(C=N2)C(F)(F)F)C1

IUPAC: 5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

InChI: InChI=1/C11H9ClF3N3O3/c12-7-1-5(11(13,14)15)3-16-9(7)17-4-6-2-8(10(19)20)18-21-6/h1,3,6H,2,4H2,(H,16,17)(H,19,20)

Composition: C (40.82%), H (2.80%), Cl (10.95%), F (17.61%), N (12.98%), O (14.83%)

Molar Mass: 323.66

Atom Count: 30

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	323.0284534
Formal Charge	0
FSP3	0.36
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	XEUXXUZFASVGLQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.32
Topological Polar Surface Area	83.81
Polarizability	24.51
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	251097-82-2		$51.35-$936.27$51.35$63.37$86.31$592.14$936.27