5-[(E)-2-anilinoethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile
Formula:C18H13N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-anilinoethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-[(E)-2-anilinoethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile |
| MolecularFormula | C18H13N3O |
| Smiles | N#Cc1c(/C=C/Nc2ccccc2)onc1-c1ccccc1 |
| InChI | InChI=1S/C18H13N3O/c19-13-16-17(11-12-20-15-9-5-2-6-10-15)22-21-18(16)14-7-3-1-4-8-14/h1-12,20H |
| InChIK | KZSKFSVGVAYYAE-UHFFFAOYSA-N |
| TotalMolweight | 287.321 |
| Molweight | 287.321 |
| MonoisotopicMass | 287.105862 |
| CLogP | 3.0874 |
| CLogS | -5.37 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.9 |
| Relative PSA | 0.20797 |
| PolarSurfaceArea | 61.85 |
| Druglikeness | -2.8278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 5-[(E)-2-anilinoethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile | 2 - 5-[(E)-2-anilinoethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile
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