TL;DR: 2(1H)-Pyridinone, 3-(((4-chloro-2-benzoxazolyl)methyl)amino)-5-ethyl-6-methyl- (CAS 139548-50-8) is a chemical compound with molecular formula C16H16ClN3O2 and molecular weight 317.0931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-chloro-1,3-benzoxazol-2-yl)methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one
Also Known As: Pyridinone deriv., 3-Aminopyridin-2(1H)-one analogue 35, 2(1H)-Pyridinone, 3-(((4-chloro-2-benzoxazolyl)methyl)amino)-5-ethyl-6-methyl-, 3-[(4-chloro-1,3-benzoxazol-2-yl)methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one, 3-{[(4-chloro-1,3-benzoxazol-2-yl)methyl]amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H16ClN3O2 |
| Molecular Weight | 317.0931 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.0931 Da |
| Heavy Atoms | 22 |
| Complexity | 518.0 |
| SMILES | CCC1=C(NC(=O)C(=C1)NCC2=NC3=C(O2)C=CC=C3Cl)C |
| InChIKey | BQAXJNKYEWRJGH-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2(1H)-Pyridinone, 3-(((4-chloro-2-benzoxazolyl)methyl)amino)-5-ethyl-6-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(1H)-Pyridinone, 3-(((4-chloro-2-benzoxazolyl)methyl)amino)-5-ethyl-6-methyl-. Following Lipinski's Rule of Five, 2(1H)-Pyridinone, 3-(((4-chloro-2-benzoxazolyl)methyl)amino)-5-ethyl-6-methyl- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2(1H)-Pyridinone, 3-(((4-chloro-2-benzoxazolyl)methyl)amino)-5-ethyl-6-methyl- is 139548-50-8.
The molecular formula of 2(1H)-Pyridinone, 3-(((4-chloro-2-benzoxazolyl)methyl)amino)-5-ethyl-6-methyl- is C16H16ClN3O2.
The molecular weight of 2(1H)-Pyridinone, 3-(((4-chloro-2-benzoxazolyl)methyl)amino)-5-ethyl-6-methyl- is 317.0931 g/mol.
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