TL;DR: 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-(hydroxymethyl)-6-methyl-1H-pyridin-2-one (CAS 147440-27-5) 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-[2-(1,3-benzoxazol-2-yl)ethyl]-5-(hydroxymethyl)-6-methyl-1H-pyridin-2-one
Also Known As: 2-Pyridinone deriv., 2-Pyridinone derivative 52, 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-(hydroxymethyl)-6-methyl-1H-pyridin-2-one, 3-[2-(2-Benzoxazolyl)ethyl]-5-(hydroxymethyl)-6-methyl-2(1H)-pyridinone, 3-[2-(Benzoxazol-2-yl)ethyl]-5-(hydroxymethyl)-6-methylpyridin-2(1H)-one
| Molecular Formula | C16H16N2O3 |
| Molecular Weight | 284.1161 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.1161 Da |
| Heavy Atoms | 21 |
| Complexity | 484.0 |
| SMILES | CC1=C(C=C(C(=O)N1)CCC2=NC3=CC=CC=C3O2)CO |
| InChIKey | YXTBBWMFLQLECP-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-(hydroxymethyl)-6-methyl-1H-pyridin-2-one. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-(hydroxymethyl)-6-methyl-1H-pyridin-2-one. Following Lipinski's Rule of Five, 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-(hydroxymethyl)-6-methyl-1H-pyridin-2-one 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 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-(hydroxymethyl)-6-methyl-1H-pyridin-2-one is 147440-27-5.
The molecular formula of 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-(hydroxymethyl)-6-methyl-1H-pyridin-2-one is C16H16N2O3.
The molecular weight of 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-(hydroxymethyl)-6-methyl-1H-pyridin-2-one is 284.1161 g/mol.
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