5-[(butan-2-yl)amino]-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-[(butan-2-yl)amino]-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
5-[(butan-2-yl)amino]-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0721 |
| Compound Name: | 5-[(butan-2-yl)amino]-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C18 H22 N4 O3 S |
| Smiles: | CCC(C)Nc1c(C#N)nc(c2ccc(cc2)S(N2CCCC2)(=O)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9019 |
| logD: | 2.9019 |
| logSw: | -3.5197 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.067 |
| InChI Key: | QNMBQMYQKLYJJJ-ZDUSSCGKSA-N |