4,4-dimethyl-2-[2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazole
Chemical Structure Depiction of
4,4-dimethyl-2-[2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazole
4,4-dimethyl-2-[2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazole
Compound characteristics
| Compound ID: | 4582-0012 |
| Compound Name: | 4,4-dimethyl-2-[2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazole |
| Molecular Weight: | 246.26 |
| Molecular Formula: | C13 H14 N2 O3 |
| Smiles: | CC1(C)COC(/C=C/c2ccc(cc2)[N+]([O-])=O)=N1 |
| Stereo: | ACHIRAL |
| logP: | 2.9658 |
| logD: | 2.9657 |
| logSw: | -3.2589 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.642 |
| InChI Key: | LPVWEORWKBYMBI-UHFFFAOYSA-N |