5-(4-phenylpiperazin-1-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile

Formula:C20H18N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-(4-phenylpiperazin-1-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.

MolName	5-(4-phenylpiperazin-1-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
MolecularFormula	C20H18N4OS
Smiles	N#Cc1c(N(CC2)CCN2c2ccccc2)oc(/C=C/c2cccs2)n1
InChI	InChI=1S/C20H18N4OS/c21-15-18-20(25-19(22-18)9-8-17-7-4-14-26-17)24-12-10-23(11-13-24)16-5-2-1-3-6-16/h1-9,14H,10-13H2
InChIK	NGRYPLXROFIEHC-UHFFFAOYSA-N
TotalMolweight	362.456
Molweight	362.456
MonoisotopicMass	362.120131
CLogP	3.7097
CLogS	-5.267
H Acceptors	5
TotalSurfaceArea	287.52
Relative PSA	0.2299
PolarSurfaceArea	84.54
Druglikeness	0.56373
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

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