TL;DR: 5-(4-fluorophenyl)-2-phenyl-3-[4-(trifluoromethoxy)phenyl]dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1022401-81-5) is a chemical compound with molecular formula C24H16F4N2O4 and molecular weight 472.1046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-fluorophenyl)-2-phenyl-3-[4-(trifluoromethoxy)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-(4-fluorophenyl)-2-phenyl-3-[4-(trifluoromethoxy)phenyl]dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(4-fluorophenyl)-2-phenyl-3-(4-(trifluoromethoxy)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-(4-fluorophenyl)-2-phenyl-3-[4-(trifluoromethoxy)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-Fluorophenyl)dihydro-2-phenyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
| Molecular Formula | C24H16F4N2O4 |
| Molecular Weight | 472.1046 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.1046 Da |
| Heavy Atoms | 34 |
| Complexity | 759.0 |
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC=C(C=C5)OC(F)(F)F |
| InChIKey | HRROAIDPKJDDAX-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 5-(4-fluorophenyl)-2-phenyl-3-[4-(trifluoromethoxy)phenyl]dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, 5-(4-fluorophenyl)-2-phenyl-3-[4-(trifluoromethoxy)phenyl]dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-fluorophenyl)-2-phenyl-3-[4-(trifluoromethoxy)phenyl]dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-(4-fluorophenyl)-2-phenyl-3-[4-(trifluoromethoxy)phenyl]dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 1022401-81-5.
The molecular formula of 5-(4-fluorophenyl)-2-phenyl-3-[4-(trifluoromethoxy)phenyl]dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is C24H16F4N2O4.
The molecular weight of 5-(4-fluorophenyl)-2-phenyl-3-[4-(trifluoromethoxy)phenyl]dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 472.1046 g/mol.
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