TL;DR: 3-(4-bromophenyl)-5-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole (CAS 1046788-86-6) is a chemical compound with molecular formula C15H9BrN4O2 and molecular weight 355.99088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-bromophenyl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
Also Known As: VU0512085-1, AB01334581-02, 3-(4-bromophenyl)-5-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole, F3167-0846, 3-(4-bromophenyl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
| Molecular Formula | C15H9BrN4O2 |
| Molecular Weight | 355.99088 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.99088 Da |
| Heavy Atoms | 22 |
| Complexity | 381.0 |
| SMILES | C1=COC(=C1)C2=NNC(=C2)C3=NC(=NO3)C4=CC=C(C=C4)Br |
| InChIKey | COJLSDKZSMHXBN-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 3-(4-bromophenyl)-5-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-bromophenyl)-5-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 3-(4-bromophenyl)-5-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole has 1 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-(4-bromophenyl)-5-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole is 1046788-86-6.
The molecular formula of 3-(4-bromophenyl)-5-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole is C15H9BrN4O2.
The molecular weight of 3-(4-bromophenyl)-5-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole is 355.99088 g/mol.
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