2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(prop-2-en-1-yl)aniline
Chemical Structure Depiction of
2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(prop-2-en-1-yl)aniline
2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(prop-2-en-1-yl)aniline
Compound characteristics
| Compound ID: | D349-3625 |
| Compound Name: | 2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(prop-2-en-1-yl)aniline |
| Molecular Weight: | 288.3 |
| Molecular Formula: | C14 H16 N4 O3 |
| Smiles: | CC(C)c1nc(c2ccc(c(c2)[N+]([O-])=O)NCC=C)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.453 |
| logD: | 3.453 |
| logSw: | -3.8479 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.646 |
| InChI Key: | OJSZFGLYLROCOY-UHFFFAOYSA-N |