TL;DR: 5-[4-(4-Fluorophenyl)piperazine-1-carbonyl]-3-phenyl-2,1-benzoxazole (CAS 921081-96-1) is a chemical compound with molecular formula C24H20FN3O2 and molecular weight 401.15396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(4-fluorophenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
Also Known As: (4-(4-fluorophenyl)piperazin-1-yl)(3-phenylbenzo[c]isoxazol-5-yl)methanone, [4-(4-fluorophenyl)piperazin-1-yl](3-phenyl-2,1-benzoxazol-5-yl)methanone, 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-phenyl-2,1-benzoxazole, [4-(4-fluorophenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
| Molecular Formula | C24H20FN3O2 |
| Molecular Weight | 401.15396 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.15396 Da |
| Heavy Atoms | 30 |
| Complexity | 583.0 |
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5 |
| InChIKey | SLIUUSPXPOAPJY-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 5-[4-(4-Fluorophenyl)piperazine-1-carbonyl]-3-phenyl-2,1-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.6 Ų, 5-[4-(4-Fluorophenyl)piperazine-1-carbonyl]-3-phenyl-2,1-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[4-(4-Fluorophenyl)piperazine-1-carbonyl]-3-phenyl-2,1-benzoxazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-[4-(4-Fluorophenyl)piperazine-1-carbonyl]-3-phenyl-2,1-benzoxazole is 921081-96-1.
The molecular formula of 5-[4-(4-Fluorophenyl)piperazine-1-carbonyl]-3-phenyl-2,1-benzoxazole is C24H20FN3O2.
The molecular weight of 5-[4-(4-Fluorophenyl)piperazine-1-carbonyl]-3-phenyl-2,1-benzoxazole is 401.15396 g/mol.
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