3-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
3-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | 8017-2151 |
| Compound Name: | 3-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 418.36 |
| Molecular Formula: | C17 H18 N6 O7 |
| Smiles: | COc1cc(CNC(c2nc(Cn3cc(cn3)[N+]([O-])=O)no2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 0.6789 |
| logD: | 0.6789 |
| logSw: | -1.995 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.456 |
| InChI Key: | IPDCXZPEGDEWEA-UHFFFAOYSA-N |