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;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol

C143H124F12N20O21 — CID 159770775

About 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;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol

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;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 159770775) has the molecular formula C143H124F12N20O21 and a molecular weight of 2686.66 g/mol. Its IUPAC name is 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;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

• Compound Name: 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;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol
• PubChem CID: 159770775
• Molecular Formula: C143H124F12N20O21
• Molecular Weight: 2686.66 g/mol
• Exact Mass: 2684.91
• IUPAC Name: 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;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol
• SMILES: CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1C(F)(F)F.CCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4CCCO)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc4nc(C)[nH]c4c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1C(F)(F)F.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.C21H13F3N4O2.C21H11F3N2O3.C21H19F3N2O3.C20H17F3N2O3.C20H20N4O3.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;1-11-25-15-8-7-13(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;1-11(2)28-18-9-6-12(10-16(18)21(22,23)24)20-25-19(26-29-20)15-5-3-4-14-13(15)7-8-17(14)27;1-2-27-17-9-6-11(10-15(17)20(21,22)23)19-24-18(25-28-19)14-5-3-4-13-12(14)7-8-16(13)26;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;1-3-21-14-6-5-13(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;2-10H,1H3,(H,25,26);1-11H;3-6,9-11,17,27H,7-8H2,1-2H3;3-6,9-10,16,26H,2,7-8H2,1H3;6-11H,4-5H2,1-3H3,(H,21,22);5-11H,3-4H2,1-2H3
• InChIKey: NGBVPBLTKSYAEU-UHFFFAOYSA-N
• XLogP: 34.21
• TPSA: 519.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 35
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2686.66
LogP ≤ 5	34.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

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

The IUPAC name of 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;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol (CID 159770775) is 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;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol.

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

The canonical SMILES for 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;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1C(F)(F)F.CCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4CCCO)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc4nc(C)[nH]c4c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1C(F)(F)F.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-[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;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol?

The InChIKey is NGBVPBLTKSYAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4.C21H13F3N4O2.C21H11F3N2O3.C21H19F3N2O3.C20H17F3N2O3.C20H20N4O3.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;1-11-25-15-8-7-13(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;1-11(2)28-18-9-6-12(10-16(18)21(22,23)24)20-25-19(26-29-20)15-5-3-4-14-13(15)7-8-17(14)27;1-2-27-17-9-6-11(10-15(17)20(21,22)23)19-24-18(25-28-19)14-5-3-4-13-12(14)7-8-16(13)26;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;1-3-21-14-6-5-13(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;2-10H,1H3,(H,25,26);1-11H;3-6,9-11,17,27H,7-8H2,1-2H3;3-6,9-10,16,26H,2,7-8H2,1H3;6-11H,4-5H2,1-3H3,(H,21,22);5-11H,3-4H2,1-2H3.

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

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;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 2686.66 g/mol, XLogP of 34.21, 35 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 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;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 159770775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).