(4Z)-4-[(4-butoxyphenyl)methylidene]-3-(3-methylphenyl)-1,2-oxazol-5-one

Formula:C21H21NO3 Mutagenic:high Tumorigenic:none Reproductive Effective:high (4Z)-4-[(4-butoxyphenyl)methylidene]-3-(3-methylphenyl)-1,2-oxazol-5-one is not a drug-like molecule.

MolName	(4Z)-4-[(4-butoxyphenyl)methylidene]-3-(3-methylphenyl)-1,2-oxazol-5-one
MolecularFormula	C21H21NO3
Smiles	CCCCOc1ccc(/C=C(/C(c2cc(C)ccc2)=NO2)\C2=O)cc1
InChI	InChI=1S/C21H21NO3/c1-3-4-12-24-18-10-8-16(9-11-18)14-19-20(22-25-21(19)23)17-7-5-6-15(2)13-17/h5-11,13-14H,3-4,12H2,1-2H3
InChIK	AOJSBGNFBANHGJ-UHFFFAOYSA-N
TotalMolweight	335.402
Molweight	335.402
MonoisotopicMass	335.152144
CLogP	5.3797
CLogS	-5.373
H Acceptors	4
TotalSurfaceArea	270.75
Relative PSA	0.16454
PolarSurfaceArea	47.89
Druglikeness	-6.4251
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - (4Z)-4-[(4-butoxyphenyl)methylidene]-3-(3-methylphenyl)-1,2-oxazol-5-one | 2 - (4Z)-4-[(4-butoxyphenyl)methylidene]-3-(3-methylphenyl)-1,2-oxazol-5-one

Request More Details | (4Z)-4-[(4-butoxyphenyl)methylidene]-3-(3-methylphenyl)-1,2-oxazol-5-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments