TL;DR: 2-[(5S)-5-(cycloheptylcarbamoyl)-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic Acid (CAS 1212089-68-3) is a chemical compound with molecular formula C19H23N3O6 and molecular weight 389.1587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5S)-5-(cycloheptylcarbamoyl)-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic acid
Also Known As: 2-[(5S)-5-(cycloheptylcarbamoyl)-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic Acid, (S)-2-(5-(cycloheptylcarbamoyl)-3-(3-nitrophenyl)-4,5-dihydroisoxazol-5-yl)acetic acid, [(5S)-5-(cycloheptylcarbamoyl)-3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
| Molecular Formula | C19H23N3O6 |
| Molecular Weight | 389.1587 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.1587 Da |
| Heavy Atoms | 28 |
| Complexity | 638.0 |
| SMILES | C1CCCC(CC1)NC(=O)[C@]2(CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])CC(=O)O |
| InChIKey | JUNVQALRXLAYLY-IBGZPJMESA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5S)-5-(cycloheptylcarbamoyl)-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic Acid. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5S)-5-(cycloheptylcarbamoyl)-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic Acid. Following Lipinski's Rule of Five, 2-[(5S)-5-(cycloheptylcarbamoyl)-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic Acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(5S)-5-(cycloheptylcarbamoyl)-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic Acid is 1212089-68-3.
The molecular formula of 2-[(5S)-5-(cycloheptylcarbamoyl)-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic Acid is C19H23N3O6.
The molecular weight of 2-[(5S)-5-(cycloheptylcarbamoyl)-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic Acid is 389.1587 g/mol.
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