5-[(4-tert-butylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-[(4-tert-butylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
5-[(4-tert-butylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 4173-0520 |
| Compound Name: | 5-[(4-tert-butylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 353.38 |
| Molecular Formula: | C19 H19 N3 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nc(c2ccc(cc2)[N+]([O-])=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.7277 |
| logD: | 5.7277 |
| logSw: | -5.6316 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.19 |
| InChI Key: | BROTWTVEZZCKCZ-UHFFFAOYSA-N |