TL;DR: (4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-oxazole-d3 (CAS 126428-97-5) is a chemical compound with molecular formula C17H16FNO3S and molecular weight 333.0835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
Also Known As: (4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-oxazole-d3, (4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyloxazole, 4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole, (4S,5R)-4-Deuterio-4-[dideuterio(fluoro)methyl]-5-(4-methylsulfonylphenyl)-2-phenyl-5H-1,3-oxazole
| Molecular Formula | C17H16FNO3S |
| Molecular Weight | 333.0835 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.0835 Da |
| Heavy Atoms | 23 |
| Complexity | 529.0 |
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C2C(N=C(O2)C3=CC=CC=C3)CF |
| InChIKey | AMZCJDBNQOWJJF-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-oxazole-d3. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-oxazole-d3. Following Lipinski's Rule of Five, (4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-oxazole-d3 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 (4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-oxazole-d3 is 126428-97-5.
The molecular formula of (4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-oxazole-d3 is C17H16FNO3S.
The molecular weight of (4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-oxazole-d3 is 333.0835 g/mol.
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