3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;4-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]butan-1-ol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole

C145H134F6N20O23 — CID 159893780

About 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;4-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]butan-1-ol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole

3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;4-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]butan-1-ol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole (PubChem CID 159893780) has the molecular formula C145H134F6N20O23 and a molecular weight of 2638.77 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;4-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]butan-1-ol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;4-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]butan-1-ol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole
• PubChem CID: 159893780
• Molecular Formula: C145H134F6N20O23
• Molecular Weight: 2638.77 g/mol
• Exact Mass: 2636.98
• IUPAC Name: 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;4-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]butan-1-ol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole
• SMILES: CCOc1ccc(-c2nc(-c3ccc(CCCCO)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4CCCO)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc4nc(C)[nH]c4c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc4occc4c3)no2)cc1OCC.CCOc1ccc(-c2noc(-c3ccncc3)n2)cc1OCC.Cc1nc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)o4)n3)cc2[nH]1.FC(F)(F)c1oc(-c2nc(-c3ccc4occc4c3)no2)cc1-c1ccccc1
• InChI: InChI=1S/C23H27N3O4.C23H28N2O4.C21H13F3N4O2.C21H11F3N2O3.C20H20N4O3.C20H18N2O4.C17H17N3O3/c1-3-28-20-9-7-18(15-21(20)29-4-2)23-24-22(25-30-23)17-6-8-19-16(14-17)10-12-26(19)11-5-13-27;1-4-27-20-12-10-18(15-21(20)28-5-2)23-24-22(25-29-23)19-11-9-17(14-16(19)3)8-6-7-13-26;1-11-25-15-8-7-13(9-16(15)26-11)19-27-20(30-28-19)17-10-14(12-5-3-2-4-6-12)18(29-17)21(22,23)24;22-21(23,24)18-15(12-4-2-1-3-5-12)11-17(28-18)20-25-19(26-29-20)14-6-7-16-13(10-14)8-9-27-16;1-4-25-17-9-7-14(11-18(17)26-5-2)20-23-19(24-27-20)13-6-8-15-16(10-13)22-12(3)21-15;1-3-23-17-8-6-15(12-18(17)24-4-2)20-21-19(22-26-20)14-5-7-16-13(11-14)9-10-25-16;1-3-21-14-6-5-13(11-15(14)22-4-2)16-19-17(23-20-16)12-7-9-18-10-8-12/h6-9,14-15,27H,3-5,10-13H2,1-2H3;9-12,14-15,26H,4-8,13H2,1-3H3;2-10H,1H3,(H,25,26);1-11H;6-11H,4-5H2,1-3H3,(H,21,22);5-12H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3
• InChIKey: NVBVSJUNRTXIBL-UHFFFAOYSA-N
• XLogP: 33.99
• TPSA: 531.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 41
• Rotatable Bonds: 43
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2638.77
LogP ≤ 5	33.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;4-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]butan-1-ol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole?

The IUPAC name of 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;4-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]butan-1-ol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole (CID 159893780) is 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;4-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]butan-1-ol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;4-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]butan-1-ol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole?

The canonical SMILES for 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;4-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]butan-1-ol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3ccc(CCCCO)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4CCCO)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc4nc(C)[nH]c4c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc4occc4c3)no2)cc1OCC.CCOc1ccc(-c2noc(-c3ccncc3)n2)cc1OCC.Cc1nc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)o4)n3)cc2[nH]1.FC(F)(F)c1oc(-c2nc(-c3ccc4occc4c3)no2)cc1-c1ccccc1.

What is the InChIKey of 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;4-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]butan-1-ol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole?

The InChIKey is NVBVSJUNRTXIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4.C23H28N2O4.C21H13F3N4O2.C21H11F3N2O3.C20H20N4O3.C20H18N2O4.C17H17N3O3/c1-3-28-20-9-7-18(15-21(20)29-4-2)23-24-22(25-30-23)17-6-8-19-16(14-17)10-12-26(19)11-5-13-27;1-4-27-20-12-10-18(15-21(20)28-5-2)23-24-22(25-29-23)19-11-9-17(14-16(19)3)8-6-7-13-26;1-11-25-15-8-7-13(9-16(15)26-11)19-27-20(30-28-19)17-10-14(12-5-3-2-4-6-12)18(29-17)21(22,23)24;22-21(23,24)18-15(12-4-2-1-3-5-12)11-17(28-18)20-25-19(26-29-20)14-6-7-16-13(10-14)8-9-27-16;1-4-25-17-9-7-14(11-18(17)26-5-2)20-23-19(24-27-20)13-6-8-15-16(10-13)22-12(3)21-15;1-3-23-17-8-6-15(12-18(17)24-4-2)20-21-19(22-26-20)14-5-7-16-13(11-14)9-10-25-16;1-3-21-14-6-5-13(11-15(14)22-4-2)16-19-17(23-20-16)12-7-9-18-10-8-12/h6-9,14-15,27H,3-5,10-13H2,1-2H3;9-12,14-15,26H,4-8,13H2,1-3H3;2-10H,1H3,(H,25,26);1-11H;6-11H,4-5H2,1-3H3,(H,21,22);5-12H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3.

What are the key properties of 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;4-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]butan-1-ol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole?

3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;4-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]butan-1-ol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole has a molecular weight of 2638.77 g/mol, XLogP of 33.99, 43 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;4-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]butan-1-ol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 159893780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).