3-(4-nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(4-nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole
3-(4-nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 4953-1789 |
| Compound Name: | 3-(4-nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole |
| Molecular Weight: | 339.35 |
| Molecular Formula: | C18 H17 N3 O4 |
| Smiles: | CC(C)c1ccc(cc1)OCc1nc(c2ccc(cc2)[N+]([O-])=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.2714 |
| logD: | 5.2714 |
| logSw: | -5.3455 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.19 |
| InChI Key: | BWIVGVAVAOISGS-UHFFFAOYSA-N |