TL;DR: Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(3-bromopropyl)- (CAS 142714-73-6) is a chemical compound with molecular formula C9H9BrN2O2 and molecular weight 255.98474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-bromopropyl)-[1,3]oxazolo[5,4-b]pyridin-2-one
Also Known As: 3-(3-Bromopropyl)oxazolo(4,5-b)pyridin-2(3H)-one, Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(3-bromopropyl)-, 1-(3-bromopropyl)-[1,3]oxazolo[5,4-b]pyridin-2-one, 1-(3-Bromopropyl)[1,3]oxazolo[5,4-b]pyridin-2(1H)-one
| Molecular Formula | C9H9BrN2O2 |
| Molecular Weight | 255.98474 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.98474 Da |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
| SMILES | C1=CC2=C(N=C1)OC(=O)N2CCCBr |
| InChIKey | XAFOJZNEQCACEZ-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(3-bromopropyl)-. With a topological polar surface area (TPSA) of 42.4 Ų, Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(3-bromopropyl)- 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-(3-bromopropyl)- has 0 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 Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(3-bromopropyl)- is 142714-73-6.
The molecular formula of Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(3-bromopropyl)- is C9H9BrN2O2.
The molecular weight of Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(3-bromopropyl)- is 255.98474 g/mol.
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