4-[(4-butoxyphenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-butoxyphenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(4-butoxyphenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2125-0509 |
| Compound Name: | 4-[(4-butoxyphenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C21 H20 N2 O5 |
| Smiles: | CCCCOc1ccc(\C=C2/C(=O)OC(c3ccc(C)c(c3)[N+]([O-])=O)=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0526 |
| logD: | 5.0526 |
| logSw: | -4.788 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.874 |
| InChI Key: | JJYLRKBGOWWXJD-UHFFFAOYSA-N |