TL;DR: 2-[(5S)-5-[(2,4-dimethylphenyl)carbamoyl]-3-(4-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic Acid (CAS 1212192-43-2) is a chemical compound with molecular formula C20H19N3O6 and molecular weight 397.12738 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5S)-5-[(2,4-dimethylphenyl)carbamoyl]-3-(4-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic acid
Also Known As: 2-[(5S)-5-[(2,4-dimethylphenyl)carbamoyl]-3-(4-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic Acid, (S)-2-(5-((2,4-dimethylphenyl)carbamoyl)-3-(4-nitrophenyl)-4,5-dihydroisoxazol-5-yl)acetic acid, [(5S)-5-[(2,4-dimethylphenyl)carbamoyl]-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
| Molecular Formula | C20H19N3O6 |
| Molecular Weight | 397.12738 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.12738 Da |
| Heavy Atoms | 29 |
| Complexity | 682.0 |
| SMILES | CC1=CC(=C(C=C1)NC(=O)[C@]2(CC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O)C |
| InChIKey | HDGXKZMOXTWWBI-FQEVSTJZSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5S)-5-[(2,4-dimethylphenyl)carbamoyl]-3-(4-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-[(2,4-dimethylphenyl)carbamoyl]-3-(4-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic Acid. Following Lipinski's Rule of Five, 2-[(5S)-5-[(2,4-dimethylphenyl)carbamoyl]-3-(4-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-[(2,4-dimethylphenyl)carbamoyl]-3-(4-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic Acid is 1212192-43-2.
The molecular formula of 2-[(5S)-5-[(2,4-dimethylphenyl)carbamoyl]-3-(4-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic Acid is C20H19N3O6.
The molecular weight of 2-[(5S)-5-[(2,4-dimethylphenyl)carbamoyl]-3-(4-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic Acid is 397.12738 g/mol.
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