TL;DR: 2(3H)-Benzoxazolone, 5-chloro-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)- (CAS 115967-14-1) is a chemical compound with molecular formula C19H19ClN2O3 and molecular weight 358.10843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 5-chloro-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)-, 5-Chloro-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)-2(3H)-benzoxazolone, 5-Chloro-3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2(3H)-one, 5-chloro-3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
| Molecular Formula | C19H19ClN2O3 |
| Molecular Weight | 358.10843 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.10843 Da |
| Heavy Atoms | 25 |
| Complexity | 489.0 |
| SMILES | C1CN(CCC1(C2=CC=CC=C2)O)CN3C4=C(C=CC(=C4)Cl)OC3=O |
| InChIKey | CPKYOTUMKMVXAL-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2(3H)-Benzoxazolone, 5-chloro-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 2(3H)-Benzoxazolone, 5-chloro-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 5-chloro-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)- 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 2(3H)-Benzoxazolone, 5-chloro-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)- is 115967-14-1.
The molecular formula of 2(3H)-Benzoxazolone, 5-chloro-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)- is C19H19ClN2O3.
The molecular weight of 2(3H)-Benzoxazolone, 5-chloro-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)- is 358.10843 g/mol.
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