3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole

C101H76F6N18O12S — CID 158780836

About 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole

3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole (PubChem CID 158780836) has the molecular formula C101H76F6N18O12S and a molecular weight of 1879.89 g/mol. Its IUPAC name is 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole
• PubChem CID: 158780836
• Molecular Formula: C101H76F6N18O12S
• Molecular Weight: 1879.89 g/mol
• Exact Mass: 1878.55
• IUPAC Name: 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole
• SMILES: CCOc1ccc(-c2nc(-c3ccc4nc(C)[nH]c4c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1OCC.Cc1nc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)o4)n3)cc2[nH]1.Cc1sc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1-c1ccccc1.FC(F)(F)c1oc(-c2nc(-c3ccc4occc4c3)no2)cc1-c1ccccc1
• InChI: InChI=1S/C21H13F3N4O2.C21H11F3N2O3.C20H20N4O3.C20H14N4OS.C19H18N4O3/c1-11-25-15-8-7-13(9-16(15)26-11)19-27-20(30-28-19)17-10-14(12-5-3-2-4-6-12)18(29-17)21(22,23)24;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;1-4-25-17-9-7-14(11-18(17)26-5-2)20-23-19(24-27-20)13-6-8-15-16(10-13)22-12(3)21-15;1-12-15(13-6-3-2-4-7-13)10-17(26-12)20-23-19(24-25-20)14-8-5-9-16-18(14)22-11-21-16;1-3-24-15-9-8-12(10-16(15)25-4-2)19-22-18(23-26-19)13-6-5-7-14-17(13)21-11-20-14/h2-10H,1H3,(H,25,26);1-11H;6-11H,4-5H2,1-3H3,(H,21,22);2-11H,1H3,(H,21,22);5-11H,3-4H2,1-2H3,(H,20,21)
• InChIKey: IRBFPHRWWUDAOS-UHFFFAOYSA-N
• XLogP: 26.08
• TPSA: 385.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1879.89
LogP ≤ 5	26.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole (CID 158780836) is 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole.

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

The canonical SMILES for 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3ccc4nc(C)[nH]c4c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1OCC.Cc1nc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)o4)n3)cc2[nH]1.Cc1sc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1-c1ccccc1.FC(F)(F)c1oc(-c2nc(-c3ccc4occc4c3)no2)cc1-c1ccccc1.

What is the InChIKey of 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole?

The InChIKey is IRBFPHRWWUDAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O2.C21H11F3N2O3.C20H20N4O3.C20H14N4OS.C19H18N4O3/c1-11-25-15-8-7-13(9-16(15)26-11)19-27-20(30-28-19)17-10-14(12-5-3-2-4-6-12)18(29-17)21(22,23)24;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;1-4-25-17-9-7-14(11-18(17)26-5-2)20-23-19(24-27-20)13-6-8-15-16(10-13)22-12(3)21-15;1-12-15(13-6-3-2-4-7-13)10-17(26-12)20-23-19(24-25-20)14-8-5-9-16-18(14)22-11-21-16;1-3-24-15-9-8-12(10-16(15)25-4-2)19-22-18(23-26-19)13-6-5-7-14-17(13)21-11-20-14/h2-10H,1H3,(H,25,26);1-11H;6-11H,4-5H2,1-3H3,(H,21,22);2-11H,1H3,(H,21,22);5-11H,3-4H2,1-2H3,(H,20,21).

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

3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole has a molecular weight of 1879.89 g/mol, XLogP of 26.08, 21 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 158780836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).