3-(2-chlorophenyl)-5-[(E)-2-[4-(trifluoromethyl)anilino]ethenyl]-1,2-oxazole-4-carbonitrile
Formula:C19H11N3OClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2-chlorophenyl)-5-[(E)-2-[4-(trifluoromethyl)anilino]ethenyl]-1,2-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 3-(2-chlorophenyl)-5-[(E)-2-[4-(trifluoromethyl)anilino]ethenyl]-1,2-oxazole-4-carbonitrile |
| MolecularFormula | C19H11N3OClF3 |
| Smiles | N#Cc1c(/C=C/Nc2ccc(C(F)(F)F)cc2)onc1-c(cccc1)c1Cl |
| InChI | InChI=1S/C19H11ClF3N3O/c20-16-4-2-1-3-14(16)18-15(11-24)17(27-26-18)9-10-25-13-7-5-12(6-8-13)19(21,22)23/h1-10,25H |
| InChIK | GZTVHGDKBDAHCX-UHFFFAOYSA-N |
| TotalMolweight | 389.763 |
| Molweight | 389.763 |
| MonoisotopicMass | 389.054273 |
| CLogP | 4.5417 |
| CLogS | -6.884 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 285.78 |
| Relative PSA | 0.17531 |
| PolarSurfaceArea | 61.85 |
| Druglikeness | -9.9409 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-(2-chlorophenyl)-5-[(E)-2-[4-(trifluoromethyl)anilino]ethenyl]-1,2-oxazole-4-carbonitrile | 2 - 3-(2-chlorophenyl)-5-[(E)-2-[4-(trifluoromethyl)anilino]ethenyl]-1,2-oxazole-4-carbonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off