TL;DR: 3-[2-(Benzoxazol-2-yl)ethyl]-5-(aminocarbonyl)-6-methylpyridin-2(1H)-one (CAS 139548-37-1) is a chemical compound with molecular formula C16H15N3O3 and molecular weight 297.11133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-(1,3-benzoxazol-2-yl)ethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
Also Known As: 2-Pyridinone deriv., 2-Pyridinone derivative 51, 3-[2-(Benzoxazol-2-yl)ethyl]-5-(aminocarbonyl)-6-methylpyridin-2(1H)-one, 5-[2-(1,3-benzoxazol-2-yl)ethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide, 5-[2-(1,3-benzoxazol-2-yl)ethyl]-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H15N3O3 |
| Molecular Weight | 297.11133 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 98.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.11133 Da |
| Heavy Atoms | 22 |
| Complexity | 553.0 |
| SMILES | CC1=C(C=C(C(=O)N1)CCC2=NC3=CC=CC=C3O2)C(=O)N |
| InChIKey | XWGUJOZMJJFGBS-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(Benzoxazol-2-yl)ethyl]-5-(aminocarbonyl)-6-methylpyridin-2(1H)-one. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(Benzoxazol-2-yl)ethyl]-5-(aminocarbonyl)-6-methylpyridin-2(1H)-one. Following Lipinski's Rule of Five, 3-[2-(Benzoxazol-2-yl)ethyl]-5-(aminocarbonyl)-6-methylpyridin-2(1H)-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-(Benzoxazol-2-yl)ethyl]-5-(aminocarbonyl)-6-methylpyridin-2(1H)-one is 139548-37-1.
The molecular formula of 3-[2-(Benzoxazol-2-yl)ethyl]-5-(aminocarbonyl)-6-methylpyridin-2(1H)-one is C16H15N3O3.
The molecular weight of 3-[2-(Benzoxazol-2-yl)ethyl]-5-(aminocarbonyl)-6-methylpyridin-2(1H)-one is 297.11133 g/mol.
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