5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile

Formula:C22H19N4OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.

MolName	5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
MolecularFormula	C22H19N4OCl
Smiles	N#Cc1c(N(CC2)CCN2c2cccc(Cl)c2)oc(/C=C/c2ccccc2)n1
InChI	InChI=1S/C22H19ClN4O/c23-18-7-4-8-19(15-18)26-11-13-27(14-12-26)22-20(16-24)25-21(28-22)10-9-17-5-2-1-3-6-17/h1-10,15H,11-14H2
InChIK	CFYBCRRPBMUSBK-UHFFFAOYSA-N
TotalMolweight	390.873
Molweight	390.873
MonoisotopicMass	390.124738
CLogP	4.4491
CLogS	-5.993
H Acceptors	5
TotalSurfaceArea	307
Relative PSA	0.14899
PolarSurfaceArea	56.3
Druglikeness	-0.88537
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

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