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;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol;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;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole

C130H129F6N17O22 — CID 157196445

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;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol;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;5-(3,4-diethoxyphenyl)-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;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol;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;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole (PubChem CID 157196445) has the molecular formula C130H129F6N17O22 and a molecular weight of 2395.55 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;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol;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;5-(3,4-diethoxyphenyl)-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;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol;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;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole
• PubChem CID: 157196445
• Molecular Formula: C130H129F6N17O22
• Molecular Weight: 2395.55 g/mol
• Exact Mass: 2393.94
• 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;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol;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;5-(3,4-diethoxyphenyl)-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(-c2nc(-c3cccc4c3CCC4N3CC[C@@H](O)C3)no2)cc1OCC.FC(F)(F)c1oc(-c2nc(-c3ccc4occc4c3)no2)cc1-c1ccccc1
• InChI: InChI=1S/C25H29N3O4.2C22H27N3O4.C21H11F3N2O3.C20H17F3N4O3.C20H18N2O4/c1-3-30-22-11-8-16(14-23(22)31-4-2)25-26-24(27-32-25)20-7-5-6-19-18(20)9-10-21(19)28-13-12-17(29)15-28;1-4-27-19-9-7-17(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;22-21(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/h5-8,11,14,17,21,29H,3-4,9-10,12-13,15H2,1-2H3;6-9,12-13,23,26H,4-5,10-11,14H2,1-3H3;6-10,13,23,26H,4-5,11-12,14H2,1-3H3;1-11H;5-10H,3-4H2,1-2H3,(H,24,25);5-12H,3-4H2,1-2H3/t17-,21?;;;;;/m1...../s1
• InChIKey: AQHNZFWXMMHKGG-SDJASLMRSA-N
• XLogP: 27.91
• TPSA: 481.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 42
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2395.55
LogP ≤ 5	27.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

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;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol;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;5-(3,4-diethoxyphenyl)-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;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol;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;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole (CID 157196445) 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;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol;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;5-(3,4-diethoxyphenyl)-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;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol;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;5-(3,4-diethoxyphenyl)-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;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol;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;5-(3,4-diethoxyphenyl)-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(-c2nc(-c3cccc4c3CCC4N3CC[C@@H](O)C3)no2)cc1OCC.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;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol;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;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole?

The InChIKey is AQHNZFWXMMHKGG-SDJASLMRSA-N. The full InChI is InChI=1S/C25H29N3O4.2C22H27N3O4.C21H11F3N2O3.C20H17F3N4O3.C20H18N2O4/c1-3-30-22-11-8-16(14-23(22)31-4-2)25-26-24(27-32-25)20-7-5-6-19-18(20)9-10-21(19)28-13-12-17(29)15-28;1-4-27-19-9-7-17(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;22-21(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/h5-8,11,14,17,21,29H,3-4,9-10,12-13,15H2,1-2H3;6-9,12-13,23,26H,4-5,10-11,14H2,1-3H3;6-10,13,23,26H,4-5,11-12,14H2,1-3H3;1-11H;5-10H,3-4H2,1-2H3,(H,24,25);5-12H,3-4H2,1-2H3/t17-,21?;;;;;/m1...../s1.

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;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol;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;5-(3,4-diethoxyphenyl)-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;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol;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;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 2395.55 g/mol, XLogP of 27.91, 42 rotatable bonds, 6 hydrogen bond donors, and 38 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;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol;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;5-(3,4-diethoxyphenyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 157196445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).