N-{2-[(adamantan-1-yl)oxy]ethyl}-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)oxy]ethyl}-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
N-{2-[(adamantan-1-yl)oxy]ethyl}-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | 8017-6768 |
| Compound Name: | N-{2-[(adamantan-1-yl)oxy]ethyl}-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 416.44 |
| Molecular Formula: | C19 H24 N6 O5 |
| Smiles: | [H][C@]12C[C@]3([H])C[C@]([H])(C1)C[C@](C2)(C3)OCCNC(c1nc(Cn2ccc(n2)[N+]([O-])=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1269 |
| logD: | 2.1269 |
| logSw: | -2.9022 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.927 |
| InChI Key: | CJDLRGLVEXLIGM-UHFFFAOYSA-N |