3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;2-[[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methylamino]ethanol;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methylamino]ethanol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole

C143H127F12N21O23 — CID 160648590

About 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;2-[[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methylamino]ethanol;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methylamino]ethanol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole

3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;2-[[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methylamino]ethanol;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methylamino]ethanol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole (PubChem CID 160648590) has the molecular formula C143H127F12N21O23 and a molecular weight of 2735.69 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;2-[[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methylamino]ethanol;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methylamino]ethanol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;2-[[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methylamino]ethanol;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methylamino]ethanol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole
• PubChem CID: 160648590
• Molecular Formula: C143H127F12N21O23
• Molecular Weight: 2735.69 g/mol
• Exact Mass: 2733.92
• IUPAC Name: 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;2-[[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methylamino]ethanol;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methylamino]ethanol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole
• SMILES: CCOc1ccc(-c2nc(-c3ccc(CNCCO)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc4occc4c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(CNCCO)c3C)no2)cc1OCC.CCOc1ccc(-c2noc(-c3ccncc3)n2)cc1OCC.FC(F)(F)c1nc2ccc(-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/2C22H27N3O4.C21H10F6N4O2.C21H11F3N2O3.C20H17F3N4O3.C20H18N2O4.C17H17N3O3/c1-4-27-19-9-7-17(13-20(19)28-5-2)22-24-21(25-29-22)18-8-6-16(12-15(18)3)14-23-10-11-26;1-4-27-19-10-9-16(13-20(19)28-5-2)22-24-21(25-29-22)18-8-6-7-17(15(18)3)14-23-11-12-26;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;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;1-3-28-15-8-6-12(10-16(15)29-4-2)18-26-17(27-30-18)11-5-7-13-14(9-11)25-19(24-13)20(21,22)23;1-3-23-17-8-6-15(12-18(17)24-4-2)20-21-19(22-26-20)14-5-7-16-13(11-14)9-10-25-16;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/h6-9,12-13,23,26H,4-5,10-11,14H2,1-3H3;6-10,13,23,26H,4-5,11-12,14H2,1-3H3;1-9H,(H,28,29);1-11H;5-10H,3-4H2,1-2H3,(H,24,25);5-12H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3
• InChIKey: RKCRFQKHGIRGNH-UHFFFAOYSA-N
• XLogP: 33.83
• TPSA: 552.07 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 44
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2735.69
LogP ≤ 5	33.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;2-[[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methylamino]ethanol;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methylamino]ethanol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole?

The IUPAC name of 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;2-[[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methylamino]ethanol;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methylamino]ethanol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole (CID 160648590) is 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;2-[[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methylamino]ethanol;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methylamino]ethanol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;2-[[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methylamino]ethanol;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methylamino]ethanol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole?

The canonical SMILES for 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;2-[[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methylamino]ethanol;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methylamino]ethanol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3ccc(CNCCO)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc4occc4c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(CNCCO)c3C)no2)cc1OCC.CCOc1ccc(-c2noc(-c3ccncc3)n2)cc1OCC.FC(F)(F)c1nc2ccc(-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-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;2-[[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methylamino]ethanol;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methylamino]ethanol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole?

The InChIKey is RKCRFQKHGIRGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H27N3O4.C21H10F6N4O2.C21H11F3N2O3.C20H17F3N4O3.C20H18N2O4.C17H17N3O3/c1-4-27-19-9-7-17(13-20(19)28-5-2)22-24-21(25-29-22)18-8-6-16(12-15(18)3)14-23-10-11-26;1-4-27-19-10-9-16(13-20(19)28-5-2)22-24-21(25-29-22)18-8-6-7-17(15(18)3)14-23-11-12-26;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;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;1-3-28-15-8-6-12(10-16(15)29-4-2)18-26-17(27-30-18)11-5-7-13-14(9-11)25-19(24-13)20(21,22)23;1-3-23-17-8-6-15(12-18(17)24-4-2)20-21-19(22-26-20)14-5-7-16-13(11-14)9-10-25-16;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/h6-9,12-13,23,26H,4-5,10-11,14H2,1-3H3;6-10,13,23,26H,4-5,11-12,14H2,1-3H3;1-9H,(H,28,29);1-11H;5-10H,3-4H2,1-2H3,(H,24,25);5-12H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3.

What are the key properties of 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;2-[[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methylamino]ethanol;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methylamino]ethanol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole?

3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;2-[[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methylamino]ethanol;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methylamino]ethanol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 2735.69 g/mol, XLogP of 33.83, 44 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;2-[[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methylamino]ethanol;2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methylamino]ethanol;3-(3,4-diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole;5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 160648590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).