2-(4-butylphenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butylphenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
2-(4-butylphenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0035 |
| Compound Name: | 2-(4-butylphenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C20 H18 N2 O4 |
| Smiles: | CCCCc1ccc(cc1)C1=NC(=C/c2cccc(c2)[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.0755 |
| logD: | 5.0755 |
| logSw: | -4.8962 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.757 |
| InChI Key: | YUOVFJKOZKFFLB-UHFFFAOYSA-N |