TL;DR: 5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide (CAS 1005127-46-7) is a chemical compound with molecular formula C16H14F3NO3 and molecular weight 325.0926 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
Also Known As: 5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide, 2-oxo-N-[3-(trifluoromethyl)phenyl]hexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxamide, 2-oxo-N-(3-(trifluoromethyl)phenyl)hexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxamide, 5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
| Molecular Formula | C16H14F3NO3 |
| Molecular Weight | 325.0926 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.0926 Da |
| Heavy Atoms | 23 |
| Complexity | 535.0 |
| SMILES | C1C2CC3C1C(C2C(=O)NC4=CC=CC(=C4)C(F)(F)F)C(=O)O3 |
| InChIKey | GZIYDTRUFINXAO-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide. With a topological polar surface area (TPSA) of 55.4 Ų, 5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide has 1 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 5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide is 1005127-46-7.
The molecular formula of 5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide is C16H14F3NO3.
The molecular weight of 5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxamide is 325.0926 g/mol.
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