4-[(4-butylanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-butylanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(4-butylanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0463 |
| Compound Name: | 4-[(4-butylanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C21 H22 N2 O3 |
| Smiles: | CCCCc1ccc(cc1)N/C=C1/C(=O)OC(c2cccc(c2)OC)=N1 |
| Stereo: | ACHIRAL |
| logP: | 5.0476 |
| logD: | 5.0475 |
| logSw: | -4.7244 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.52 |
| InChI Key: | YQUUECCTQNDEIK-UHFFFAOYSA-N |