5-[(E)-2-anilinoethenyl]-3-(2-chlorophenyl)-1,2-oxazole-4-carbonitrile

Formula:C18H12N3OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(E)-2-anilinoethenyl]-3-(2-chlorophenyl)-1,2-oxazole-4-carbonitrile is a drug-like molecule.

MolName	5-[(E)-2-anilinoethenyl]-3-(2-chlorophenyl)-1,2-oxazole-4-carbonitrile
MolecularFormula	C18H12N3OCl
Smiles	N#Cc1c(/C=C/Nc2ccccc2)onc1-c(cccc1)c1Cl
InChI	InChI=1S/C18H12ClN3O/c19-16-9-5-4-8-14(16)18-15(12-20)17(23-22-18)10-11-21-13-6-2-1-3-7-13/h1-11,21H
InChIK	WODXGKCBCSOKBP-UHFFFAOYSA-N
TotalMolweight	321.766
Molweight	321.766
MonoisotopicMass	321.066889
CLogP	3.6934
CLogS	-6.106
H Acceptors	4
H Donors	1
TotalSurfaceArea	256.32
Relative PSA	0.19546
PolarSurfaceArea	61.85
Druglikeness	-2.7509
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - 5-[(E)-2-anilinoethenyl]-3-(2-chlorophenyl)-1,2-oxazole-4-carbonitrile | 2 - 5-[(E)-2-anilinoethenyl]-3-(2-chlorophenyl)-1,2-oxazole-4-carbonitrile

Request More Details | 5-[(E)-2-anilinoethenyl]-3-(2-chlorophenyl)-1,2-oxazole-4-carbonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments