TL;DR: 3-[2-(4-Chlorobenzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one (CAS 139548-58-6) is a chemical compound with molecular formula C17H17ClN2O2 and molecular weight 316.09787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(4-chloro-1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Also Known As: 2-Pyridinone deriv., 2-Pyridinone derivative 15, 3-[2-(4-Chlorobenzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one, 3-[2-(4-chloro-1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1H-pyridin-2-one, 3-[2-(4-Chloro-2-benzoxazolyl)ethyl]-5-ethyl-6-methyl-2(1H)-pyridinone
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H17ClN2O2 |
| Molecular Weight | 316.09787 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.09787 Da |
| Heavy Atoms | 22 |
| Complexity | 515.0 |
| SMILES | CCC1=C(NC(=O)C(=C1)CCC2=NC3=C(O2)C=CC=C3Cl)C |
| InChIKey | OTEQAQOANIBUPR-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 3-[2-(4-Chlorobenzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 3-[2-(4-Chlorobenzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(4-Chlorobenzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[2-(4-Chlorobenzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one is 139548-58-6.
The molecular formula of 3-[2-(4-Chlorobenzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one is C17H17ClN2O2.
The molecular weight of 3-[2-(4-Chlorobenzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one is 316.09787 g/mol.
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