5-tert-butyl-3-{3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl}-1,2,4-oxadiazole
Chemical Structure Depiction of
5-tert-butyl-3-{3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl}-1,2,4-oxadiazole
5-tert-butyl-3-{3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl}-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | V014-7421 |
| Compound Name: | 5-tert-butyl-3-{3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl}-1,2,4-oxadiazole |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C20 H21 N3 O5 |
| Smiles: | CC(C)(C)c1nc(c2ccc(c(c2)OC)OCc2cccc(c2)[N+]([O-])=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.0017 |
| logD: | 5.0017 |
| logSw: | -4.9708 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.242 |
| InChI Key: | WTAVBNHGPMNANY-UHFFFAOYSA-N |