5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile

Formula:C21H17N3O Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.

MolName	5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
MolecularFormula	C21H17N3O
Smiles	N#Cc1c(N(CC2)Cc3c2cccc3)oc(/C=C/c2ccccc2)n1
InChI	InChI=1S/C21H17N3O/c22-14-19-21(24-13-12-17-8-4-5-9-18(17)15-24)25-20(23-19)11-10-16-6-2-1-3-7-16/h1-11H,12-13,15H2
InChIK	ZTCWAJAHWRXYRG-UHFFFAOYSA-N
TotalMolweight	327.386
Molweight	327.386
MonoisotopicMass	327.137162
CLogP	3.7834
CLogS	-5.515
H Acceptors	4
TotalSurfaceArea	267.52
Relative PSA	0.15771
PolarSurfaceArea	53.06
Druglikeness	-2.9366
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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1 - 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile | 2 - 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile

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