TL;DR: N-(4-nitrophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CAS 862488-64-0) is a chemical compound with molecular formula C20H20N4O7 and molecular weight 428.1332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-nitrophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
Also Known As: N-(4-nitrophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide, N-(4-nitrophenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl)propanamide
| Molecular Formula | C20H20N4O7 |
| Molecular Weight | 428.1332 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.1332 Da |
| Heavy Atoms | 31 |
| Complexity | 583.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)CCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | KQFDPKHNJIZYPD-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-nitrophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide. The TPSA of 142.0 Ų indicates high polarity, suggesting N-(4-nitrophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-nitrophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(4-nitrophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is 862488-64-0.
The molecular formula of N-(4-nitrophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is C20H20N4O7.
The molecular weight of N-(4-nitrophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is 428.1332 g/mol.
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