TL;DR: Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-(3-chlorophenyl)-1-piperazinyl)methyl)- (CAS 146529-59-1) is a chemical compound with molecular formula C17H17ClN4O2 and molecular weight 344.104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Also Known As: Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-, 3-((4-(3-Chlorophenyl)-1-piperazinyl)methyl)oxazolo(4,5-b)pyridin-2(3H)-one, 3-[[4-(3-Chlorophenyl)-1-piperazinyl]methyl]oxazolo[4,5-b]pyridin-2(3H)-one, 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one, 3-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-2H,3H-[1,3]oxazolo[4,5-b]pyridin-2-one
| Molecular Formula | C17H17ClN4O2 |
| Molecular Weight | 344.104 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 48.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.104 Da |
| Heavy Atoms | 24 |
| Complexity | 458.0 |
| SMILES | C1CN(CCN1CN2C3=C(C=CC=N3)OC2=O)C4=CC(=CC=C4)Cl |
| InChIKey | AQCJADZLKCFISG-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-. With a topological polar surface area (TPSA) of 48.9 Ų, Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-(3-chlorophenyl)-1-piperazinyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-(3-chlorophenyl)-1-piperazinyl)methyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-(3-chlorophenyl)-1-piperazinyl)methyl)- is 146529-59-1.
The molecular formula of Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-(3-chlorophenyl)-1-piperazinyl)methyl)- is C17H17ClN4O2.
The molecular weight of Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-(3-chlorophenyl)-1-piperazinyl)methyl)- is 344.104 g/mol.
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