TL;DR: 2alpha-Phenyl-3beta-(hydroxymethyl)-8abeta-methylhexahydro-5H-oxazolo[3,2-a]pyridine-5-one (CAS 116950-01-7) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,8aS)-3-(hydroxymethyl)-8a-methyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
Also Known As: 2alpha-Phenyl-3beta-(hydroxymethyl)-8abeta-methylhexahydro-5H-oxazolo[3,2-a]pyridine-5-one, (2R)-2alpha-Phenyl-3beta-(hydroxymethyl)-8abeta-methylhexahydro-5H-oxazolo[3,2-a]pyridine-5-one, (2R,3R,8aS)-3-(hydroxymethyl)-8a-methyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one, (2R,3R,8aS)-3-(hydroxymethyl)-8a-methyl-2-phenyl-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one, [2S-(2
| Molecular Formula | C15H19NO3 |
| Molecular Weight | 261.1365 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.1365 Da |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
| SMILES | C[C@]12CCCC(=O)N1[C@@H]([C@H](O2)C3=CC=CC=C3)CO |
| InChIKey | HMPLCFQDHIGQMF-YUELXQCFSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2alpha-Phenyl-3beta-(hydroxymethyl)-8abeta-methylhexahydro-5H-oxazolo[3,2-a]pyridine-5-one. With a topological polar surface area (TPSA) of 49.8 Ų, 2alpha-Phenyl-3beta-(hydroxymethyl)-8abeta-methylhexahydro-5H-oxazolo[3,2-a]pyridine-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2alpha-Phenyl-3beta-(hydroxymethyl)-8abeta-methylhexahydro-5H-oxazolo[3,2-a]pyridine-5-one has 1 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 2alpha-Phenyl-3beta-(hydroxymethyl)-8abeta-methylhexahydro-5H-oxazolo[3,2-a]pyridine-5-one is 116950-01-7.
The molecular formula of 2alpha-Phenyl-3beta-(hydroxymethyl)-8abeta-methylhexahydro-5H-oxazolo[3,2-a]pyridine-5-one is C15H19NO3.
The molecular weight of 2alpha-Phenyl-3beta-(hydroxymethyl)-8abeta-methylhexahydro-5H-oxazolo[3,2-a]pyridine-5-one is 261.1365 g/mol.
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