TL;DR: 3-[2-(Benzoxazol-2-yl)ethyl]-5-phenyl-6-methylpyridin-2(1H)-one (CAS 147440-26-4) is a chemical compound with molecular formula C21H18N2O2 and molecular weight 330.13684 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]-6-methyl-5-phenyl-1H-pyridin-2-one
Also Known As: 2-Pyridinone deriv., 2-Pyridinone derivative 49, 3-[2-(Benzoxazol-2-yl)ethyl]-5-phenyl-6-methylpyridin-2(1H)-one, 3-[2-(1,3-benzoxazol-2-yl)ethyl]-6-methyl-5-phenyl-1H-pyridin-2-one, 3-[2-(2-Benzoxazolyl)ethyl]-6-methyl-5-phenyl-2(1H)-pyridinone
| Molecular Formula | C21H18N2O2 |
| Molecular Weight | 330.13684 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.13684 Da |
| Heavy Atoms | 25 |
| Complexity | 574.0 |
| SMILES | CC1=C(C=C(C(=O)N1)CCC2=NC3=CC=CC=C3O2)C4=CC=CC=C4 |
| InChIKey | JOFCFELBJMWFCA-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 3-[2-(Benzoxazol-2-yl)ethyl]-5-phenyl-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-(Benzoxazol-2-yl)ethyl]-5-phenyl-6-methylpyridin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(Benzoxazol-2-yl)ethyl]-5-phenyl-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-(Benzoxazol-2-yl)ethyl]-5-phenyl-6-methylpyridin-2(1H)-one is 147440-26-4.
The molecular formula of 3-[2-(Benzoxazol-2-yl)ethyl]-5-phenyl-6-methylpyridin-2(1H)-one is C21H18N2O2.
The molecular weight of 3-[2-(Benzoxazol-2-yl)ethyl]-5-phenyl-6-methylpyridin-2(1H)-one is 330.13684 g/mol.
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