N-butyl-2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
Chemical Structure Depiction of
N-butyl-2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
N-butyl-2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
Compound characteristics
| Compound ID: | D349-3613 |
| Compound Name: | N-butyl-2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline |
| Molecular Weight: | 304.35 |
| Molecular Formula: | C15 H20 N4 O3 |
| Smiles: | CCCCNc1ccc(cc1[N+]([O-])=O)c1nc(C(C)C)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.5234 |
| logD: | 4.5234 |
| logSw: | -4.3695 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.646 |
| InChI Key: | VBCFDXXMDLICJK-UHFFFAOYSA-N |