4-[(3-methoxyphenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(3-methoxyphenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(3-methoxyphenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-1551 |
| Compound Name: | 4-[(3-methoxyphenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 338.32 |
| Molecular Formula: | C18 H14 N2 O5 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C1=NC(=C\c2cccc(c2)OC)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.4365 |
| logD: | 3.4365 |
| logSw: | -4.0364 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71 |
| InChI Key: | CKYDKCSMEGXIAP-UHFFFAOYSA-N |