TL;DR: 3-(2-chlorophenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1024166-64-0) is a chemical compound with molecular formula C23H15ClFN3O5 and molecular weight 467.06842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chlorophenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(2-chlorophenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(2-chlorophenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(2-chlorophenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C23H15ClFN3O5 |
| Molecular Weight | 467.06842 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 95.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.06842 Da |
| Heavy Atoms | 33 |
| Complexity | 789.0 |
| SMILES | C1=CC=C(C(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)F)ON2C5=CC(=CC=C5)[N+](=O)[O-])Cl |
| InChIKey | XUFBQHDQWQSUOO-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 3-(2-chlorophenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chlorophenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 3-(2-chlorophenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 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 3-(2-chlorophenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1024166-64-0.
The molecular formula of 3-(2-chlorophenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C23H15ClFN3O5.
The molecular weight of 3-(2-chlorophenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 467.06842 g/mol.
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