5-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino}-5-oxopentanoic acid
Chemical Structure Depiction of
5-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino}-5-oxopentanoic acid
5-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino}-5-oxopentanoic acid
Compound characteristics
| Compound ID: | D400-2013 |
| Compound Name: | 5-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino}-5-oxopentanoic acid |
| Molecular Weight: | 365.39 |
| Molecular Formula: | C20 H19 N3 O4 |
| Smiles: | Cc1cccc(c1)c1nc(c2cccc(c2)NC(CCCC(O)=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.442 |
| logD: | 0.8448 |
| logSw: | -3.6043 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.177 |
| InChI Key: | HADXCAOWVUWJQU-UHFFFAOYSA-N |