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;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole

C85H56F3N11O6S3 — CID 157436810

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)furan-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-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)furan-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole (PubChem CID 157436810) has the molecular formula C85H56F3N11O6S3 and a molecular weight of 1480.65 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)furan-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-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)furan-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole
• PubChem CID: 157436810
• Molecular Formula: C85H56F3N11O6S3
• Molecular Weight: 1480.65 g/mol
• Exact Mass: 1479.35
• 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)furan-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole
• SMILES: Cc1sc(-c2nc(-c3cccc4[nH]ccc34)no2)cc1-c1ccccc1.Cc1sc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1-c1ccccc1.Cc1sc(-c2nc(-c3cccc4ccccc34)no2)cc1-c1ccccc1.FC(F)(F)c1oc(-c2nc(-c3ccc4occc4c3)no2)cc1-c1ccccc1
• InChI: InChI=1S/C23H16N2OS.C21H11F3N2O3.C21H15N3OS.C20H14N4OS/c1-15-20(17-8-3-2-4-9-17)14-21(27-15)23-24-22(25-26-23)19-13-7-11-16-10-5-6-12-18(16)19;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;1-13-17(14-6-3-2-4-7-14)12-19(26-13)21-23-20(24-25-21)16-8-5-9-18-15(16)10-11-22-18;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/h2-14H,1H3;1-11H;2-12,22H,1H3;2-11H,1H3,(H,21,22)
• InChIKey: BREZBDHWVLJLNL-UHFFFAOYSA-N
• XLogP: 24.26
• TPSA: 226.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1480.65
LogP ≤ 5	24.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

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)furan-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-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)furan-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole (CID 157436810) 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)furan-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-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)furan-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-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)furan-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole is Cc1sc(-c2nc(-c3cccc4[nH]ccc34)no2)cc1-c1ccccc1.Cc1sc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1-c1ccccc1.Cc1sc(-c2nc(-c3cccc4ccccc34)no2)cc1-c1ccccc1.FC(F)(F)c1oc(-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)furan-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole?

The InChIKey is BREZBDHWVLJLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2OS.C21H11F3N2O3.C21H15N3OS.C20H14N4OS/c1-15-20(17-8-3-2-4-9-17)14-21(27-15)23-24-22(25-26-23)19-13-7-11-16-10-5-6-12-18(16)19;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;1-13-17(14-6-3-2-4-7-14)12-19(26-13)21-23-20(24-25-21)16-8-5-9-18-15(16)10-11-22-18;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/h2-14H,1H3;1-11H;2-12,22H,1H3;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)furan-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-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)furan-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole has a molecular weight of 1480.65 g/mol, XLogP of 24.26, 12 rotatable bonds, 2 hydrogen bond donors, and 18 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)furan-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 157436810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).