3-phenyl-5-[(E)-2-[3-(trifluoromethyl)anilino]ethenyl]-1,2-oxazole-4-carbonitrile
Formula:C19H12N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-5-[(E)-2-[3-(trifluoromethyl)anilino]ethenyl]-1,2-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 3-phenyl-5-[(E)-2-[3-(trifluoromethyl)anilino]ethenyl]-1,2-oxazole-4-carbonitrile |
| MolecularFormula | C19H12N3OF3 |
| Smiles | N#Cc1c(/C=C/Nc2cccc(C(F)(F)F)c2)onc1-c1ccccc1 |
| InChI | InChI=1S/C19H12F3N3O/c20-19(21,22)14-7-4-8-15(11-14)24-10-9-17-16(12-23)18(25-26-17)13-5-2-1-3-6-13/h1-11,24H |
| InChIK | PPGGNKPYXZXUMZ-UHFFFAOYSA-N |
| TotalMolweight | 355.318 |
| Molweight | 355.318 |
| MonoisotopicMass | 355.093246 |
| CLogP | 3.9357 |
| CLogS | -6.148 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 270.36 |
| Relative PSA | 0.18531 |
| PolarSurfaceArea | 61.85 |
| Druglikeness | -10.018 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-phenyl-5-[(E)-2-[3-(trifluoromethyl)anilino]ethenyl]-1,2-oxazole-4-carbonitrile | 2 - 3-phenyl-5-[(E)-2-[3-(trifluoromethyl)anilino]ethenyl]-1,2-oxazole-4-carbonitrile
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