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

Formula:C21H20N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-(4-benzylpiperazin-1-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.

MolName	5-(4-benzylpiperazin-1-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
MolecularFormula	C21H20N4OS
Smiles	N#Cc1c(N2CCN(Cc3ccccc3)CC2)oc(/C=C/c2cccs2)n1
InChI	InChI=1S/C21H20N4OS/c22-15-19-21(26-20(23-19)9-8-18-7-4-14-27-18)25-12-10-24(11-13-25)16-17-5-2-1-3-6-17/h1-9,14H,10-13,16H2
InChIK	AXOVONGURINTPY-UHFFFAOYSA-N
TotalMolweight	376.483
Molweight	376.483
MonoisotopicMass	376.135781
CLogP	3.6326
CLogS	-4.745
H Acceptors	5
TotalSurfaceArea	301.28
Relative PSA	0.2194
PolarSurfaceArea	84.54
Druglikeness	1.4158
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
Symmetricatoms	4
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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