2-(adamantan-1-yl)-5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,4-oxadiazole
Chemical Structure Depiction of
2-(adamantan-1-yl)-5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,4-oxadiazole
2-(adamantan-1-yl)-5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,4-oxadiazole
Compound characteristics
| Compound ID: | Y500-3846 |
| Compound Name: | 2-(adamantan-1-yl)-5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,4-oxadiazole |
| Molecular Weight: | 431.25 |
| Molecular Formula: | C17 H18 Br F3 N4 O |
| Smiles: | Cn1c(c(c(c2nnc(C34CC5CC(CC(C5)C4)C3)o2)n1)[Br])C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.5636 |
| logD: | 4.5636 |
| logSw: | -4.3455 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 44.578 |
| InChI Key: | BZMFZUUAQDBNHM-UHFFFAOYSA-N |