N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-4-methoxybenzamide

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

MolName	N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-4-methoxybenzamide
MolecularFormula	C21H15N2O3Cl
Smiles	COc(cc1)ccc1C(Nc(cc(cc1)-c2nc(cccc3)c3o2)c1Cl)=O
InChI	InChI=1S/C21H15ClN2O3/c1-26-15-9-6-13(7-10-15)20(25)23-18-12-14(8-11-16(18)22)21-24-17-4-2-3-5-19(17)27-21/h2-12H,1H3,(H,23,25)
InChIK	DUDXVJOEHXNVDL-UHFFFAOYSA-N
TotalMolweight	378.814
Molweight	378.814
MonoisotopicMass	378.07712
CLogP	4.9979
CLogS	-6.872
H Acceptors	5
H Donors	1
TotalSurfaceArea	282.72
Relative PSA	0.21074
PolarSurfaceArea	64.36
Druglikeness	1.1392
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.59259
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
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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