N-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
N-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-8827 |
| Compound Name: | N-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide |
| Molecular Weight: | 319.32 |
| Molecular Formula: | C14 H17 N5 O4 |
| Smiles: | Cc1cc(nn1CCNC(c1c2CCCCc2on1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7062 |
| logD: | 0.7062 |
| logSw: | -1.7985 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.917 |
| InChI Key: | HUDOSLRUCIWEKD-UHFFFAOYSA-N |