N-butyl-3-methyl-6-(3-nitrophenyl)[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
Chemical Structure Depiction of
N-butyl-3-methyl-6-(3-nitrophenyl)[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
N-butyl-3-methyl-6-(3-nitrophenyl)[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | Y505-0629 |
| Compound Name: | N-butyl-3-methyl-6-(3-nitrophenyl)[1,2]oxazolo[5,4-b]pyridine-4-carboxamide |
| Molecular Weight: | 354.36 |
| Molecular Formula: | C18 H18 N4 O4 |
| Smiles: | CCCCNC(c1cc(c2cccc(c2)[N+]([O-])=O)nc2c1c(C)no2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2428 |
| logD: | 4.2428 |
| logSw: | -4.4525 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.669 |
| InChI Key: | MJDSHSORWLKAPG-UHFFFAOYSA-N |