4-benzylidene-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-benzylidene-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-benzylidene-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 1967-9169 |
| Compound Name: | 4-benzylidene-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 308.29 |
| Molecular Formula: | C17 H12 N2 O4 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C1=NC(=C/c2ccccc2)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.6246 |
| logD: | 3.6246 |
| logSw: | -3.9928 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.456 |
| InChI Key: | YLDZSPWGWMHEOL-UHFFFAOYSA-N |