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

Formula:C19H15N3OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.

MolName	5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
MolecularFormula	C19H15N3OS
Smiles	N#Cc1c(N(CC2)Cc3c2cccc3)oc(/C=C/c2cccs2)n1
InChI	InChI=1S/C19H15N3OS/c20-12-17-19(22-10-9-14-4-1-2-5-15(14)13-22)23-18(21-17)8-7-16-6-3-11-24-16/h1-8,11H,9-10,13H2
InChIK	MRYJWQZBLKCMPO-UHFFFAOYSA-N
TotalMolweight	333.414
Molweight	333.414
MonoisotopicMass	333.093582
CLogP	3.65
CLogS	-5.525
H Acceptors	4
TotalSurfaceArea	263.46
Relative PSA	0.23742
PolarSurfaceArea	81.3
Druglikeness	-1.195
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Aromatic Nitrogens	1
StereoCon

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

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