(E)-N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide

Formula:C21H15N2O3Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C21H15N2O3Cl
Smiles	O=C(/C=C/c1ccco1)Nc(cc1)cc2c1oc(Cc(cc1)ccc1Cl)n2
InChI	InChI=1S/C21H15ClN2O3/c22-15-5-3-14(4-6-15)12-21-24-18-13-16(7-9-19(18)27-21)23-20(25)10-8-17-2-1-11-26-17/h1-11,13H,12H2,(H,23,25)
InChIK	HOEYSCZJDGECTH-UHFFFAOYSA-N
TotalMolweight	378.814
Molweight	378.814
MonoisotopicMass	378.07712
CLogP	4.6482
CLogS	-5.756
H Acceptors	5
H Donors	1
TotalSurfaceArea	290.41
Relative PSA	0.21931
PolarSurfaceArea	68.27
Druglikeness	0.080787
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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