TL;DR: 2-[(5S)-3-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetic Acid (CAS 1212084-40-6) is a chemical compound with molecular formula C19H14F4N2O4 and molecular weight 410.08896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5S)-3-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetic acid
Also Known As: 2-[(5S)-3-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetic Acid, (S)-2-(3-(4-fluorophenyl)-5-((3-(trifluoromethyl)phenyl)carbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid, [(5S)-3-(4-fluorophenyl)-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
| Molecular Formula | C19H14F4N2O4 |
| Molecular Weight | 410.08896 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.08896 Da |
| Heavy Atoms | 29 |
| Complexity | 661.0 |
| SMILES | C1C(=NO[C@@]1(CC(=O)O)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)F |
| InChIKey | AWRBONGKXBQRBN-SFHVURJKSA-N |
The XLogP value of 3.0 indicates that 2-[(5S)-3-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5S)-3-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetic Acid. Following Lipinski's Rule of Five, 2-[(5S)-3-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetic Acid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(5S)-3-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetic Acid is 1212084-40-6.
The molecular formula of 2-[(5S)-3-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetic Acid is C19H14F4N2O4.
The molecular weight of 2-[(5S)-3-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetic Acid is 410.08896 g/mol.
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