4-[(4-aminoanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-aminoanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(4-aminoanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-1180 |
| Compound Name: | 4-[(4-aminoanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 324.29 |
| Molecular Formula: | C16 H12 N4 O4 |
| Smiles: | C(=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1)\Nc1ccc(cc1)N |
| Stereo: | ACHIRAL |
| logP: | 1.8747 |
| logD: | 1.8715 |
| logSw: | -2.567 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.164 |
| InChI Key: | LKIUTHKADGPLAQ-UHFFFAOYSA-N |