1-[rel-(3R,4S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
1-[rel-(3R,4S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Compound characteristics
Compound ID: | SB56-0886 |
Compound Name: | 1-[rel-(3R,4S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one |
Molecular Weight: | 421.5 |
Molecular Formula: | C23 H27 N5 O3 |
Smiles: | Cc1c(CC(N2C[C@@H](c3nc(C4CCCC4)no3)[C@@H](C2)c2cccnc2)=O)c(C)on1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 3.2896 |
logD: | 3.2879 |
logSw: | -3.2885 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 79.84 |
InChI Key: | BHCMEOAXBVNISE-VQTJNVASSA-N |