5-[(E)-2-(benzylamino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile
Formula:C19H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-(benzylamino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-[(E)-2-(benzylamino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile |
| MolecularFormula | C19H15N3O |
| Smiles | N#Cc1c(/C=C/NCc2ccccc2)onc1-c1ccccc1 |
| InChI | InChI=1S/C19H15N3O/c20-13-17-18(11-12-21-14-15-7-3-1-4-8-15)23-22-19(17)16-9-5-2-6-10-16/h1-12,21H,14H2 |
| InChIK | OZFFABMLECTHLB-UHFFFAOYSA-N |
| TotalMolweight | 301.348 |
| Molweight | 301.348 |
| MonoisotopicMass | 301.121512 |
| CLogP | 2.7968 |
| CLogS | -5.186 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 254.66 |
| Relative PSA | 0.19673 |
| PolarSurfaceArea | 61.85 |
| Druglikeness | -2.3715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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