1-[2-(adamantan-1-yl)-2-methyl-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-(adamantan-1-yl)-2-methyl-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[2-(adamantan-1-yl)-2-methyl-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8017-1936 |
| Compound Name: | 1-[2-(adamantan-1-yl)-2-methyl-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C21 H25 N3 O4 |
| Smiles: | CC(N1C(C)(C23CC4CC(CC(C4)C3)C2)OC(c2cccc(c2)[N+]([O-])=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9007 |
| logD: | 4.9007 |
| logSw: | -4.8118 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.797 |
| InChI Key: | CFJIAXJBVRIBOT-CQLMTFPYSA-N |