TL;DR: 2-[(5S)-5-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic Acid (CAS 1212248-30-0) is a chemical compound with molecular formula C18H21FN2O4 and molecular weight 348.14853 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5S)-5-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid
Also Known As: 2-[(5S)-5-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic Acid, (S)-2-(5-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)-4,5-dihydroisoxazol-5-yl)acetic acid, [(5S)-5-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
| Molecular Formula | C18H21FN2O4 |
| Molecular Weight | 348.14853 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.14853 Da |
| Heavy Atoms | 25 |
| Complexity | 539.0 |
| SMILES | C1CCC(CC1)NC(=O)[C@]2(CC(=NO2)C3=CC=C(C=C3)F)CC(=O)O |
| InChIKey | ZZPJIAWNIZORSX-SFHVURJKSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5S)-5-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic Acid. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5S)-5-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic Acid. Following Lipinski's Rule of Five, 2-[(5S)-5-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic Acid has 2 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 2-[(5S)-5-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic Acid is 1212248-30-0.
The molecular formula of 2-[(5S)-5-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic Acid is C18H21FN2O4.
The molecular weight of 2-[(5S)-5-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic Acid is 348.14853 g/mol.
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