(4E)-4-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

Formula:C20H17N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-4-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
MolecularFormula	C20H17N3O5
Smiles	[O-][N+](c(cc(/C=C1/N=C(c2ccccc2)OC1=O)cc1)c1N1CCOCC1)=O
InChI	InChI=1S/C20H17N3O5/c24-20-16(21-19(28-20)15-4-2-1-3-5-15)12-14-6-7-17(18(13-14)23(25)26)22-8-10-27-11-9-22/h1-7,12-13H,8-11H2
InChIK	KHUQUKJZBSAXTE-UHFFFAOYSA-N
TotalMolweight	379.371
Molweight	379.371
MonoisotopicMass	379.116822
CLogP	1.3392
CLogS	-4.482
H Acceptors	8
TotalSurfaceArea	280.46
Relative PSA	0.27997
PolarSurfaceArea	96.95
Druglikeness	-2.7523
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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