TL;DR: 5-[1-(2-Fluorobenzoyl)pyrrolidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CAS 1022293-87-3) is a chemical compound with molecular formula C19H15F2N3O2 and molecular weight 355.11322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-fluorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
Also Known As: 5-[1-(2-fluorobenzoyl)pyrrolidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole, (2-fluorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
| Molecular Formula | C19H15F2N3O2 |
| Molecular Weight | 355.11322 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 59.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.11322 Da |
| Heavy Atoms | 26 |
| Complexity | 501.0 |
| SMILES | C1CC(N(C1)C(=O)C2=CC=CC=C2F)C3=NC(=NO3)C4=CC=C(C=C4)F |
| InChIKey | ANHHKBNWOLRORN-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 5-[1-(2-Fluorobenzoyl)pyrrolidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.2 Ų, 5-[1-(2-Fluorobenzoyl)pyrrolidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[1-(2-Fluorobenzoyl)pyrrolidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole 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-[1-(2-Fluorobenzoyl)pyrrolidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is 1022293-87-3.
The molecular formula of 5-[1-(2-Fluorobenzoyl)pyrrolidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is C19H15F2N3O2.
The molecular weight of 5-[1-(2-Fluorobenzoyl)pyrrolidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is 355.11322 g/mol.
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