3-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide
Chemical Structure Depiction of
3-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide
3-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide
Compound characteristics
| Compound ID: | J021-2266 |
| Compound Name: | 3-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C20 H17 F N4 O3 S |
| Smiles: | Cc1ccc(cc1NC(CCc1nc(CSc2nc3ccccc3o2)no1)=O)F |
| Stereo: | ACHIRAL |
| logP: | 3.8192 |
| logD: | 3.8188 |
| logSw: | -3.8694 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.415 |
| InChI Key: | XKHYFPXUXIWLTE-UHFFFAOYSA-N |