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

Formula:C18H13N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.

MolName	5-(1,3-benzodioxol-5-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
MolecularFormula	C18H13N3O3S
Smiles	N#Cc1c(NCc(cc2)cc3c2OCO3)oc(/C=C/c2cccs2)n1
InChI	InChI=1S/C18H13N3O3S/c19-9-14-18(24-17(21-14)6-4-13-2-1-7-25-13)20-10-12-3-5-15-16(8-12)23-11-22-15/h1-8,20H,10-11H2
InChIK	NGUUVCGIMPCISS-UHFFFAOYSA-N
TotalMolweight	351.385
Molweight	351.385
MonoisotopicMass	351.067762
CLogP	3.6126
CLogS	-5.911
H Acceptors	6
H Donors	1
TotalSurfaceArea	270.86
Relative PSA	0.33397
PolarSurfaceArea	108.55
Druglikeness	-2.7527
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Aromatic Nitrogens	1
StereoCon

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