(E)-N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide

Formula:C21H14N3O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
MolecularFormula	C21H14N3O2Br
Smiles	O=C(/C=C/c1ccccc1)Nc(cc1)cc2c1oc(-c1cc(Br)cnc1)n2
InChI	InChI=1S/C21H14BrN3O2/c22-16-10-15(12-23-13-16)21-25-18-11-17(7-8-19(18)27-21)24-20(26)9-6-14-4-2-1-3-5-14/h1-13H,(H,24,26)
InChIK	IDEXIFQXOJJXHI-UHFFFAOYSA-N
TotalMolweight	420.265
Molweight	420.265
MonoisotopicMass	419.026938
CLogP	4.5154
CLogS	-6.527
H Acceptors	5
H Donors	1
TotalSurfaceArea	288.93
Relative PSA	0.20957
PolarSurfaceArea	68.02
Druglikeness	-1.9255
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	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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