N-(2,3-dichlorophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-1,2-oxazole-3-carboxamide
Formula:C18H11N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2,3-dichlorophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-1,2-oxazole-3-carboxamide is a drug-like molecule.
| MolName | N-(2,3-dichlorophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-1,2-oxazole-3-carboxamide |
| MolecularFormula | C18H11N3O4Cl2 |
| Smiles | [O-][N+](c1ccc(/C=C/c2cc(C(Nc3cccc(Cl)c3Cl)=O)no2)cc1)=O |
| InChI | InChI=1S/C18H11Cl2N3O4/c19-14-2-1-3-15(17(14)20)21-18(24)16-10-13(27-22-16)9-6-11-4-7-12(8-5-11)23(25)26/h1-10H,(H,21,24) |
| InChIK | TXMFYKGLLMTEGL-UHFFFAOYSA-N |
| TotalMolweight | 404.208 |
| Molweight | 404.208 |
| MonoisotopicMass | 403.012661 |
| CLogP | 3.8228 |
| CLogS | -6.341 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 291.45 |
| Relative PSA | 0.27449 |
| PolarSurfaceArea | 100.95 |
| Druglikeness | -0.68709 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(2,3-dichlorophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-1,2-oxazole-3-carboxamide | 2 - N-(2,3-dichlorophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-1,2-oxazole-3-carboxamide
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