2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;2-[[4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol;5-[3-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol

C140H140F6N22O20 — CID 158004400

About 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;2-[[4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol;5-[3-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol

2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;2-[[4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol;5-[3-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol (PubChem CID 158004400) has the molecular formula C140H140F6N22O20 and a molecular weight of 2564.78 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;2-[[4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol;5-[3-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol.

Molecular Properties

• Compound Name: 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;2-[[4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol;5-[3-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol
• PubChem CID: 158004400
• Molecular Formula: C140H140F6N22O20
• Molecular Weight: 2564.78 g/mol
• Exact Mass: 2563.05
• IUPAC Name: 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;2-[[4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol;5-[3-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol
• SMILES: CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCO)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCO)no2)cc1C(F)(F)F.CCOc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4c3CCC4NCCO)no2)cc1C(F)(F)F.CCOc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1C#N.CCOc1ccc(-c2ncc(-c3ccncc3)o2)cc1OCC.CCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1OCC
• InChI: InChI=1S/C23H24F3N3O3.C23H24N4O3.C22H22F3N3O3.C20H17N3O3.C18H18N2O3.C17H18N4O2.C17H17N3O3/c1-13(2)31-20-9-6-14(12-18(20)23(24,25)26)22-28-21(29-32-22)17-5-3-4-16-15(17)7-8-19(16)27-10-11-30;1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28;1-2-30-19-9-6-13(12-17(19)22(23,24)25)21-27-20(28-31-21)16-5-3-4-15-14(16)7-8-18(15)26-10-11-29;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;1-3-21-15-6-5-14(11-16(15)22-4-2)18-20-12-17(23-18)13-7-9-19-10-8-13;1-3-22-14-6-5-13(11-15(14)23-4-2)17-19-16(20-21-17)12-7-9-18-10-8-12;1-3-21-14-6-5-13(11-15(14)22-4-2)17-20-19-16(23-17)12-7-9-18-10-8-12/h3-6,9,12-13,19,27,30H,7-8,10-11H2,1-2H3;3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3;3-6,9,12,18,26,29H,2,7-8,10-11H2,1H3;3-6,9-10,17,24H,2,7-8H2,1H3;5-12H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3,(H,19,20,21);5-11H,3-4H2,1-2H3
• InChIKey: FECOJJABASAIQF-UHFFFAOYSA-N
• XLogP: 27.58
• TPSA: 557.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 43
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2564.78
LogP ≤ 5	27.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;2-[[4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol;5-[3-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol?

The IUPAC name of 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;2-[[4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol;5-[3-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol (CID 158004400) is 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;2-[[4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol;5-[3-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol.

What is the SMILES notation for 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;2-[[4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol;5-[3-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol?

The canonical SMILES for 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;2-[[4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol;5-[3-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCO)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCO)no2)cc1C(F)(F)F.CCOc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4c3CCC4NCCO)no2)cc1C(F)(F)F.CCOc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1C#N.CCOc1ccc(-c2ncc(-c3ccncc3)o2)cc1OCC.CCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1OCC.

What is the InChIKey of 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;2-[[4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol;5-[3-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol?

The InChIKey is FECOJJABASAIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3.C23H24N4O3.C22H22F3N3O3.C20H17N3O3.C18H18N2O3.C17H18N4O2.C17H17N3O3/c1-13(2)31-20-9-6-14(12-18(20)23(24,25)26)22-28-21(29-32-22)17-5-3-4-16-15(17)7-8-19(16)27-10-11-30;1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28;1-2-30-19-9-6-13(12-17(19)22(23,24)25)21-27-20(28-31-21)16-5-3-4-15-14(16)7-8-18(15)26-10-11-29;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;1-3-21-15-6-5-14(11-16(15)22-4-2)18-20-12-17(23-18)13-7-9-19-10-8-13;1-3-22-14-6-5-13(11-15(14)23-4-2)17-19-16(20-21-17)12-7-9-18-10-8-12;1-3-21-14-6-5-13(11-15(14)22-4-2)17-20-19-16(23-17)12-7-9-18-10-8-12/h3-6,9,12-13,19,27,30H,7-8,10-11H2,1-2H3;3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3;3-6,9,12,18,26,29H,2,7-8,10-11H2,1H3;3-6,9-10,17,24H,2,7-8H2,1H3;5-12H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3,(H,19,20,21);5-11H,3-4H2,1-2H3.

What are the key properties of 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;2-[[4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol;5-[3-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol?

2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;2-[[4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol;5-[3-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol has a molecular weight of 2564.78 g/mol, XLogP of 27.58, 43 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;2-ethoxy-5-[3-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;2-[[4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol;5-[3-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol is sourced from PubChem (CID 158004400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).