TL;DR: Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(6-(4-(4-fluorophenyl)-1-piperazinyl)hexyl)- (CAS 162254-26-4) is a chemical compound with molecular formula C22H27FN4O2 and molecular weight 398.2118 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[6-[4-(4-fluorophenyl)piperazin-1-yl]hexyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
Also Known As: Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(6-(4-(4-fluorophenyl)-1-piperazinyl)hexyl)-, 1-(6-(4-(4-Fluorophenyl)-1-piperazinyl)hexyl)oxazolo(5,4-b)pyridin-2(1H)-one, 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]hexyl]-[1,3]oxazolo[5,4-b]pyridin-2-one, 1-{6-[4-(4-Fluorophenyl)piperazin-1-yl]hexyl}[1,3]oxazolo[5,4-b]pyridin-2(1H)-one
| Molecular Formula | C22H27FN4O2 |
| Molecular Weight | 398.2118 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 48.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.2118 Da |
| Heavy Atoms | 29 |
| Complexity | 521.0 |
| SMILES | C1CN(CCN1CCCCCCN2C3=C(N=CC=C3)OC2=O)C4=CC=C(C=C4)F |
| InChIKey | HFEMLVREJWONDZ-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(6-(4-(4-fluorophenyl)-1-piperazinyl)hexyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.9 Ų, Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(6-(4-(4-fluorophenyl)-1-piperazinyl)hexyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(6-(4-(4-fluorophenyl)-1-piperazinyl)hexyl)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(6-(4-(4-fluorophenyl)-1-piperazinyl)hexyl)- is 162254-26-4.
The molecular formula of Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(6-(4-(4-fluorophenyl)-1-piperazinyl)hexyl)- is C22H27FN4O2.
The molecular weight of Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(6-(4-(4-fluorophenyl)-1-piperazinyl)hexyl)- is 398.2118 g/mol.
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