TL;DR: 5-(4-fluorophenyl)-2-phenyl-3-pyridin-4-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1005066-11-4) is a chemical compound with molecular formula C22H16FN3O3 and molecular weight 389.11758 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-fluorophenyl)-2-phenyl-3-pyridin-4-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-(4-fluorophenyl)-2-phenyl-3-pyridin-4-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-FLUOROPHENYL)-2-PHENYL-3-(4-PYRIDYL)DIHYDRO-2H-PYRROLO[3,4-D]ISOXAZOLE-4,6(3H,5H)-DIONE, 5-(4-fluorophenyl)-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(4-fluorophenyl)-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C22H16FN3O3 |
| Molecular Weight | 389.11758 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.11758 Da |
| Heavy Atoms | 29 |
| Complexity | 627.0 |
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC=NC=C5 |
| InChIKey | KCOBPCXTEANSGM-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 5-(4-fluorophenyl)-2-phenyl-3-pyridin-4-yl-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 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-fluorophenyl)-2-phenyl-3-pyridin-4-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 5-(4-fluorophenyl)-2-phenyl-3-pyridin-4-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 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 5-(4-fluorophenyl)-2-phenyl-3-pyridin-4-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1005066-11-4.
The molecular formula of 5-(4-fluorophenyl)-2-phenyl-3-pyridin-4-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C22H16FN3O3.
The molecular weight of 5-(4-fluorophenyl)-2-phenyl-3-pyridin-4-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 389.11758 g/mol.
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