TL;DR: [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate (CAS 1031038-44-4) is a chemical compound with molecular formula C16H11ClN4O4 and molecular weight 358.04688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate
Also Known As: [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate|[(5-PHENYL-1,3,4-OXADIAZOL-2-YL)CARBAMOYL]METHYL 2-CHLOROPYRIDINE-3-CARBOXYLATE|MLS001142283|CHEMBL1404151|SMR000715426|EN300-26609662|Z19818170
| Molecular Formula | C16H11ClN4O4 |
| Molecular Weight | 358.04688 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.04688 Da |
| Heavy Atoms | 25 |
| Complexity | 475.0 |
| SMILES | C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)C3=C(N=CC=C3)Cl |
| InChIKey | VMIUOGYZYHHEJD-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate is 1031038-44-4.
The molecular formula of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate is C16H11ClN4O4.
The molecular weight of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate is 358.04688 g/mol.
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