3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-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-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxyphenyl] cyanate;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole

C154H152F3N23O23 — CID 160860364

About 3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-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-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxyphenyl] cyanate;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-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;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-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-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxyphenyl] cyanate;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 160860364) has the molecular formula C154H152F3N23O23 and a molecular weight of 2750.04 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;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-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-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxyphenyl] cyanate;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-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-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxyphenyl] cyanate;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 160860364
• Molecular Formula: C154H152F3N23O23
• Molecular Weight: 2750.04 g/mol
• Exact Mass: 2748.14
• IUPAC Name: 3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-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-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxyphenyl] cyanate;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4NCCO)o2)cc1OC#N.CCOc1ccc(-c2cc(-c3ccncc3)no2)cc1OCC.CCOc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4CCCO)no2)cc1OCC.CCOc1ccc(-c2ncc(-c3ccncc3)o2)cc1OCC.CCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1OCC.CCOc1ccc(-c2noc(-c3ccncc3)n2)cc1OCC.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1-c1ccccc1
• InChI: InChI=1S/C24H25N3O4.C23H27N3O4.C20H12F3N3O.2C18H18N2O3.C17H18N4O2.2C17H17N3O3/c1-15(2)30-21-9-6-16(12-22(21)29-14-25)24-27-13-23(31-24)19-5-3-4-18-17(19)7-8-20(18)26-10-11-28;1-3-28-20-9-7-18(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;21-20(22,23)17-12-15(6-7-16(17)13-4-2-1-3-5-13)19-25-18(26-27-19)14-8-10-24-11-9-14;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)16-19-17(23-20-16)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/h3-6,9,12-13,15,20,26,28H,7-8,10-11H2,1-2H3;6-9,14-15,27H,3-5,10-13H2,1-2H3;1-12H;2*5-12H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3,(H,19,20,21);2*5-11H,3-4H2,1-2H3
• InChIKey: SKJYRRDFABYKQI-UHFFFAOYSA-N
• XLogP: 32.58
• TPSA: 561.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 45
• Rotatable Bonds: 50
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2750.04
LogP ≤ 5	32.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-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-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxyphenyl] cyanate;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The IUPAC name of 3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-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-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxyphenyl] cyanate;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 160860364) is 3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-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-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxyphenyl] cyanate;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

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;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-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-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxyphenyl] cyanate;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The canonical SMILES for 3-[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-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-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxyphenyl] cyanate;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4NCCO)o2)cc1OC#N.CCOc1ccc(-c2cc(-c3ccncc3)no2)cc1OCC.CCOc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4CCCO)no2)cc1OCC.CCOc1ccc(-c2ncc(-c3ccncc3)o2)cc1OCC.CCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1OCC.CCOc1ccc(-c2noc(-c3ccncc3)n2)cc1OCC.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1-c1ccccc1.

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;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-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-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxyphenyl] cyanate;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is SKJYRRDFABYKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4.C23H27N3O4.C20H12F3N3O.2C18H18N2O3.C17H18N4O2.2C17H17N3O3/c1-15(2)30-21-9-6-16(12-22(21)29-14-25)24-27-13-23(31-24)19-5-3-4-18-17(19)7-8-20(18)26-10-11-28;1-3-28-20-9-7-18(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;21-20(22,23)17-12-15(6-7-16(17)13-4-2-1-3-5-13)19-25-18(26-27-19)14-8-10-24-11-9-14;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)16-19-17(23-20-16)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/h3-6,9,12-13,15,20,26,28H,7-8,10-11H2,1-2H3;6-9,14-15,27H,3-5,10-13H2,1-2H3;1-12H;2*5-12H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3,(H,19,20,21);2*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;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-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-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxyphenyl] cyanate;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-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;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-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-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxyphenyl] cyanate;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 2750.04 g/mol, XLogP of 32.58, 50 rotatable bonds, 4 hydrogen bond donors, and 45 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;2-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-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-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxyphenyl] cyanate;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 160860364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).