2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile

C116H116N16O17 — CID 159779977

About 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile

2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 159779977) has the molecular formula C116H116N16O17 and a molecular weight of 2006.30 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;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile.

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;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile
• PubChem CID: 159779977
• Molecular Formula: C116H116N16O17
• Molecular Weight: 2006.30 g/mol
• Exact Mass: 2004.87
• 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;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile
• SMILES: CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4NCCO)o2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4O)o2)cc1C#N.CCOc1ccc(-c2cc(-c3ccncc3)no2)cc1OCC.CCOc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1OCC.CCOc1ccc(-c2ncc(-c3ccncc3)o2)cc1OCC.CCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1OCC
• InChI: InChI=1S/C24H25N3O3.C22H20N2O3.2C18H18N2O3.C17H18N4O2.C17H17N3O3/c1-15(2)29-22-9-6-16(12-17(22)13-25)24-27-14-23(30-24)20-5-3-4-19-18(20)7-8-21(19)26-10-11-28;1-13(2)26-20-9-6-14(10-15(20)11-23)22-24-12-21(27-22)18-5-3-4-17-16(18)7-8-19(17)25;1-3-21-16-6-5-14(11-18(16)22-4-2)17-12-15(20-23-17)13-7-9-19-10-8-13;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/h3-6,9,12,14-15,21,26,28H,7-8,10-11H2,1-2H3;3-6,9-10,12-13,19,25H,7-8H2,1-2H3;2*5-12H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3,(H,19,20,21);5-11H,3-4H2,1-2H3
• InChIKey: NHFPWUNDBAQNLQ-UHFFFAOYSA-N
• XLogP: 24.21
• TPSA: 428.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 35
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2006.30
LogP ≤ 5	24.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

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;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?

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;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile (CID 159779977) is 2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile.

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;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?

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;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4NCCO)o2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4O)o2)cc1C#N.CCOc1ccc(-c2cc(-c3ccncc3)no2)cc1OCC.CCOc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1OCC.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;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?

The InChIKey is NHFPWUNDBAQNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3.C22H20N2O3.2C18H18N2O3.C17H18N4O2.C17H17N3O3/c1-15(2)29-22-9-6-16(12-17(22)13-25)24-27-14-23(30-24)20-5-3-4-19-18(20)7-8-21(19)26-10-11-28;1-13(2)26-20-9-6-14(10-15(20)11-23)22-24-12-21(27-22)18-5-3-4-17-16(18)7-8-19(17)25;1-3-21-16-6-5-14(11-18(16)22-4-2)17-12-15(20-23-17)13-7-9-19-10-8-13;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/h3-6,9,12,14-15,21,26,28H,7-8,10-11H2,1-2H3;3-6,9-10,12-13,19,25H,7-8H2,1-2H3;2*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;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?

2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3-oxazole;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 2006.30 g/mol, XLogP of 24.21, 35 rotatable bonds, 4 hydrogen bond donors, and 32 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;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2-oxazole;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-[5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 159779977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).