(E)-1-[5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-(2,4-dichloroanilino)prop-2-en-1-one

Formula:C19H14N4O2Cl3F3 Mutagenic:none Tumorigenic:high Reproductive Effective:low (E)-1-[5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-(2,4-dichloroanilino)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-(2,4-dichloroanilino)prop-2-en-1-one
MolecularFormula	C19H14N4O2Cl3F3
Smiles	O=C(/C=C/Nc(ccc(Cl)c1)c1Cl)C1=NOC(CNc(ncc(C(F)(F)F)c2)c2Cl)C1
InChI	InChI=1S/C19H14Cl3F3N4O2/c20-11-1-2-15(13(21)6-11)26-4-3-17(30)16-7-12(31-29-16)9-28-18-14(22)5-10(8-27-18)19(23,24)25/h1-6,8,12,26H,7,9H2,(H,27,28)/t12-/m1/s1
InChIK	BWEUCPLRYFERLZ-GFCCVEGCSA-N
TotalMolweight	493.699
Molweight	493.699
MonoisotopicMass	492.013441
CLogP	4.809
CLogS	-6.895
H Acceptors	6
H Donors	2
TotalSurfaceArea	334.16
Relative PSA	0.20481
PolarSurfaceArea	75.61
Druglikeness	-3.0266
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	1
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	racemate

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1 - (E)-1-[5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-(2,4-dichloroanilino)prop-2-en-1-one | 2 - (E)-1-[5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-(2,4-dichloroanilino)prop-2-en-1-one

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