(E)-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one

Formula:C22H20N3O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C22H20N3O2Cl
Smiles	O=C(/C=C/c1ccccc1)N(CCC1)CC1c1nc(-c(cc2)ccc2Cl)no1
InChI	InChI=1S/C22H20ClN3O2/c23-19-11-9-17(10-12-19)21-24-22(28-25-21)18-7-4-14-26(15-18)20(27)13-8-16-5-2-1-3-6-16/h1-3,5-6,8-13,18H,4,7,14-15H2/t18-/m0/s1
InChIK	BXAIZPHNSLFUQB-SFHVURJKSA-N
TotalMolweight	393.873
Molweight	393.873
MonoisotopicMass	393.124404
CLogP	4.9966
CLogS	-5.457
H Acceptors	5
TotalSurfaceArea	304
Relative PSA	0.17316
PolarSurfaceArea	59.23
Druglikeness	3.2325
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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1 - (E)-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one | 2 - (E)-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one

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