1-(4-chloro-2-methoxybenzoyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine

1-(4-chloro-2-methoxybenzoyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine

CAS: 1775314-06-1

Formula: C22H22ClN3O3

SMILES: COC1=C(C=CC(Cl)=C1)C(=O)N1CCC(CC2=NC(=NO2)C2=CC=CC=C2)CC1

IUPAC: 1-(4-chloro-2-methoxybenzoyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine

InChI: InChI=1S/C22H22ClN3O3/c1-28-19-14-17(23)7-8-18(19)22(27)26-11-9-15(10-12-26)13-20-24-21(25-29-20)16-5-3-2-4-6-16/h2-8,14-15H,9-13H2,1H3

Composition: C (64.15%), H (5.38%), Cl (8.61%), N (10.20%), O (11.65%)

Molar Mass: 411.89

Atom Count: 51

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	411.1349693
Formal Charge	0
FSP3	0.32
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ACKDAXGYLOHXEU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.04
Topological Polar Surface Area	68.46
Polarizability	42.79
Ring Count	4
Rotatable Bond Count	5

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90%	<2 Days	1775314-06-1		$51.35-$86.31$51.35$63.37$86.31