[rel-(3R,4S)-3-[(dimethylamino)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]{5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl}methanone
Chemical Structure Depiction of
[rel-(3R,4S)-3-[(dimethylamino)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]{5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl}methanone
[rel-(3R,4S)-3-[(dimethylamino)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]{5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl}methanone
Compound characteristics
| Compound ID: | SB53-0072 |
| Compound Name: | [rel-(3R,4S)-3-[(dimethylamino)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]{5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl}methanone |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C23 H29 N5 O4 |
| Smiles: | Cc1cccc(c1)OCc1c(C(N2C[C@H](CN(C)C)[C@H](C2)c2nnc(C)o2)=O)noc1C |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1653 |
| logD: | -0.2444 |
| logSw: | -2.8354 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.21 |
| InChI Key: | OMCVJBLJBWKEJR-IEBWSBKVSA-N |