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;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-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

C143H126F12N20O21 — CID 159700831

About 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;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-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-[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;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-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 159700831) has the molecular formula C143H126F12N20O21 and a molecular weight of 2688.68 g/mol. Its IUPAC name is 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;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-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-[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;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-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: 159700831
• Molecular Formula: C143H126F12N20O21
• Molecular Weight: 2688.68 g/mol
• Exact Mass: 2686.92
• IUPAC Name: 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;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-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#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1C(F)(F)F.CCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4CCCO)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1C#N.CCOc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1C(F)(F)F.CCOc1ccc(-c2noc(-c3ccncc3)n2)cc1OCC.FC(F)(F)c1nc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)o4)n3)cc2[nH]1
• InChI: InChI=1S/C23H27N3O4.C21H10F6N4O2.C21H19F3N2O3.C21H19N3O3.C20H17F3N2O3.C20H17N3O3.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;22-20(23,24)16-12(10-4-2-1-3-5-10)9-15(32-16)18-30-17(31-33-18)11-6-7-13-14(8-11)29-19(28-13)21(25,26)27;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;1-12(2)26-19-9-6-13(10-14(19)11-22)21-23-20(24-27-21)17-5-3-4-16-15(17)7-8-18(16)25;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;1-2-25-18-9-6-12(10-13(18)11-21)20-22-19(23-26-20)16-5-3-4-15-14(16)7-8-17(15)24;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;1-9H,(H,28,29);3-6,9-11,17,27H,7-8H2,1-2H3;3-6,9-10,12,18,25H,7-8H2,1-2H3;3-6,9-10,16,26H,2,7-8H2,1H3;3-6,9-10,17,24H,2,7-8H2,1H3;5-11H,3-4H2,1-2H3
• InChIKey: MXPCRLUWASKBRW-UHFFFAOYSA-N
• XLogP: 31.80
• TPSA: 552.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 34
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2688.68
LogP ≤ 5	31.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 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;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-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-[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;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-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 159700831) is 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;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-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-[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;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-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-[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;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-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#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1C(F)(F)F.CCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4CCCO)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1C#N.CCOc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1C(F)(F)F.CCOc1ccc(-c2noc(-c3ccncc3)n2)cc1OCC.FC(F)(F)c1nc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)o4)n3)cc2[nH]1.

What is the InChIKey of 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;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-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 MXPCRLUWASKBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4.C21H10F6N4O2.C21H19F3N2O3.C21H19N3O3.C20H17F3N2O3.C20H17N3O3.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;22-20(23,24)16-12(10-4-2-1-3-5-10)9-15(32-16)18-30-17(31-33-18)11-6-7-13-14(8-11)29-19(28-13)21(25,26)27;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;1-12(2)26-19-9-6-13(10-14(19)11-22)21-23-20(24-27-21)17-5-3-4-16-15(17)7-8-18(16)25;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;1-2-25-18-9-6-12(10-13(18)11-21)20-22-19(23-26-20)16-5-3-4-15-14(16)7-8-17(15)24;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;1-9H,(H,28,29);3-6,9-11,17,27H,7-8H2,1-2H3;3-6,9-10,12,18,25H,7-8H2,1-2H3;3-6,9-10,16,26H,2,7-8H2,1H3;3-6,9-10,17,24H,2,7-8H2,1H3;5-11H,3-4H2,1-2H3.

What are the key properties of 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;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-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-[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;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-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 2688.68 g/mol, XLogP of 31.80, 34 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 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;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-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 159700831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).