3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole

Formula:C18H17N3OF6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole is a drug-like molecule.

MolName	3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
MolecularFormula	C18H17N3OF6
Smiles	FC(c1cc(C(F)(F)F)cc(/C=C/c2noc(CN3CCCCC3)n2)c1)(F)F
InChI	InChI=1S/C18H17F6N3O/c19-17(20,21)13-8-12(9-14(10-13)18(22,23)24)4-5-15-25-16(28-26-15)11-27-6-2-1-3-7-27/h4-5,8-10H,1-3,6-7,11H2
InChIK	WHEMCFNNSKYJLX-UHFFFAOYSA-N
TotalMolweight	405.341
Molweight	405.341
MonoisotopicMass	405.12758
CLogP	4.3847
CLogS	-3.82
H Acceptors	4
TotalSurfaceArea	285.01
Relative PSA	0.13894
PolarSurfaceArea	42.16
Druglikeness	-4.795
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	10
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - 3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole | 2 - 3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole

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