TL;DR: [3-(Pyridin-4-yl)-1,2-oxazol-5-yl]methanol (CAS 158840-80-3) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-pyridin-4-yl-1,2-oxazol-5-yl)methanol
Also Known As: 3-(4-Pyridinyl)-5-isoxazolemethanol, 5-Isoxazolemethanol, 3-(4-pyridinyl)-, (3-(pyridin-4-yl)isoxazol-5-yl)methanol, (3-(4-pyridyl)isoxazol-5-yl)methan-1-ol, [3-(pyridin-4-yl)-1,2-oxazol-5-yl]methanol
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.05858 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.05858 Da |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
| SMILES | C1=CN=CC=C1C2=NOC(=C2)CO |
| InChIKey | URTWCPNWWBGKFK-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(Pyridin-4-yl)-1,2-oxazol-5-yl]methanol. With a topological polar surface area (TPSA) of 59.2 Ų, [3-(Pyridin-4-yl)-1,2-oxazol-5-yl]methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3-(Pyridin-4-yl)-1,2-oxazol-5-yl]methanol 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-(Pyridin-4-yl)-1,2-oxazol-5-yl]methanol is 158840-80-3.
The molecular formula of [3-(Pyridin-4-yl)-1,2-oxazol-5-yl]methanol is C9H8N2O2.
The molecular weight of [3-(Pyridin-4-yl)-1,2-oxazol-5-yl]methanol is 176.05858 g/mol.
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