TL;DR: 3-(3-Fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole (CAS 383147-30-6) is a chemical compound with molecular formula C17H14FNO3 and molecular weight 299.09576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole
Also Known As: 3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole, 12R-0298, 3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzisoxazole
| Molecular Formula | C17H14FNO3 |
| Molecular Weight | 299.09576 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.09576 Da |
| Heavy Atoms | 22 |
| Complexity | 401.0 |
| SMILES | CC1(OCCO1)C2=CC3=C(ON=C3C=C2)C4=CC(=CC=C4)F |
| InChIKey | SSFSWEZUKLFWJL-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 3-(3-Fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 3-(3-Fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-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 3-(3-Fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole is 383147-30-6.
The molecular formula of 3-(3-Fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole is C17H14FNO3.
The molecular weight of 3-(3-Fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole is 299.09576 g/mol.
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