3-methyl-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}butanamide
Chemical Structure Depiction of
3-methyl-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}butanamide
3-methyl-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}butanamide
Compound characteristics
| Compound ID: | V029-7229 |
| Compound Name: | 3-methyl-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}butanamide |
| Molecular Weight: | 318.33 |
| Molecular Formula: | C15 H18 N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)CC(NCCc1nc(c2ccc(cc2)[N+]([O-])=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7462 |
| logD: | 2.7462 |
| logSw: | -3.2619 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.276 |
| InChI Key: | HGCWLOJJFYYMQC-UHFFFAOYSA-N |