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

C62H38F6N10O5S2 — CID 158204057

About 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)thiophen-2-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-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-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 158204057) has the molecular formula C62H38F6N10O5S2 and a molecular weight of 1181.17 g/mol. Its IUPAC name is 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)thiophen-2-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-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-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: 158204057
• Molecular Formula: C62H38F6N10O5S2
• Molecular Weight: 1181.17 g/mol
• Exact Mass: 1180.24
• IUPAC Name: 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)thiophen-2-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: 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)c1sc(-c2nc(-c3ccc4occc4c3)no2)cc1-c1ccccc1
• InChI: InChI=1S/C21H13F3N4O2.C21H11F3N2O2S.C20H14N4OS/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(29-18)20-25-19(26-28-20)14-6-7-16-13(10-14)8-9-27-16;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/h2-10H,1H3,(H,25,26);1-11H;2-11H,1H3,(H,21,22)
• InChIKey: GBGYDSXPTVKLPC-UHFFFAOYSA-N
• XLogP: 18.08
• TPSA: 200.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1181.17
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 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)thiophen-2-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-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-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 158204057) is 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)thiophen-2-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-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-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-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-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 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)c1sc(-c2nc(-c3ccc4occc4c3)no2)cc1-c1ccccc1.

What is the InChIKey of 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)thiophen-2-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 GBGYDSXPTVKLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O2.C21H11F3N2O2S.C20H14N4OS/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(29-18)20-25-19(26-28-20)14-6-7-16-13(10-14)8-9-27-16;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/h2-10H,1H3,(H,25,26);1-11H;2-11H,1H3,(H,21,22).

What are the key properties of 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)thiophen-2-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-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-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 1181.17 g/mol, XLogP of 18.08, 9 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 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)thiophen-2-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 158204057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).