N-[(Z)-benzylideneamino]-2-phenyl-1,3-oxazole-4-carboxamide
Formula:C17H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-phenyl-1,3-oxazole-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-phenyl-1,3-oxazole-4-carboxamide |
| MolecularFormula | C17H13N3O2 |
| Smiles | O=C(c1coc(-c2ccccc2)n1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C17H13N3O2/c21-16(20-18-11-13-7-3-1-4-8-13)15-12-22-17(19-15)14-9-5-2-6-10-14/h1-12H,(H,20,21) |
| InChIK | GZNHFCHGRXGGBQ-UHFFFAOYSA-N |
| TotalMolweight | 291.309 |
| Molweight | 291.309 |
| MonoisotopicMass | 291.100777 |
| CLogP | 3.471 |
| CLogS | -5.339 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 235.2 |
| Relative PSA | 0.25974 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 5.0632 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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