TL;DR: 3-[(Benzoxazol-2-yl)methoxy]-5-ethyl-6-methylpyridin-2(1H)-one (CAS 139394-20-0) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.1161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzoxazol-2-ylmethoxy)-5-ethyl-6-methyl-1H-pyridin-2-one
Also Known As: 2-Pyridinone deriv., 2-Pyridinone derivative 35, 3-[(Benzoxazol-2-yl)methoxy]-5-ethyl-6-methylpyridin-2(1H)-one, 3-(1,3-benzoxazol-2-ylmethoxy)-5-ethyl-6-methyl-1H-pyridin-2-one, 2(1H)-Pyridinone, 3-(2-benzoxazolylmethoxy)-5-ethyl-6-methyl-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H16N2O3 |
| Molecular Weight | 284.1161 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.1161 Da |
| Heavy Atoms | 21 |
| Complexity | 484.0 |
| SMILES | CCC1=C(NC(=O)C(=C1)OCC2=NC3=CC=CC=C3O2)C |
| InChIKey | ZEXDHQKXYJUHQY-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Benzoxazol-2-yl)methoxy]-5-ethyl-6-methylpyridin-2(1H)-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Benzoxazol-2-yl)methoxy]-5-ethyl-6-methylpyridin-2(1H)-one. Following Lipinski's Rule of Five, 3-[(Benzoxazol-2-yl)methoxy]-5-ethyl-6-methylpyridin-2(1H)-one has 1 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 3-[(Benzoxazol-2-yl)methoxy]-5-ethyl-6-methylpyridin-2(1H)-one is 139394-20-0.
The molecular formula of 3-[(Benzoxazol-2-yl)methoxy]-5-ethyl-6-methylpyridin-2(1H)-one is C16H16N2O3.
The molecular weight of 3-[(Benzoxazol-2-yl)methoxy]-5-ethyl-6-methylpyridin-2(1H)-one is 284.1161 g/mol.
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