3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

C82H47F12N13O4S4 — CID 157370605

About 3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 157370605) has the molecular formula C82H47F12N13O4S4 and a molecular weight of 1634.61 g/mol. Its IUPAC name is 3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
• PubChem CID: 157370605
• Molecular Formula: C82H47F12N13O4S4
• Molecular Weight: 1634.61 g/mol
• Exact Mass: 1633.26
• IUPAC Name: 3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
• SMILES: FC(F)(F)c1sc(-c2nc(-c3cccc4[nH]ccc34)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3cccc4ccccc34)no2)cc1-c1ccccc1.Nc1cc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)ccn1
• InChI: InChI=1S/C23H13F3N2OS.C21H12F3N3OS.C20H11F3N4OS.C18H11F3N4OS/c24-23(25,26)20-18(15-7-2-1-3-8-15)13-19(30-20)22-27-21(28-29-22)17-12-6-10-14-9-4-5-11-16(14)17;22-21(23,24)18-15(12-5-2-1-3-6-12)11-17(29-18)20-26-19(27-28-20)14-7-4-8-16-13(14)9-10-25-16;21-20(22,23)17-13(11-5-2-1-3-6-11)9-15(29-17)19-26-18(27-28-19)12-7-4-8-14-16(12)25-10-24-14;19-18(20,21)15-12(10-4-2-1-3-5-10)9-13(27-15)17-24-16(25-26-17)11-6-7-23-14(22)8-11/h1-13H;1-11,25H;1-10H,(H,24,25);1-9H,(H2,22,23)
• InChIKey: BJSHGDQZVMAUFF-UHFFFAOYSA-N
• XLogP: 25.09
• TPSA: 239.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1634.61
LogP ≤ 5	25.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?

The IUPAC name of 3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 157370605) is 3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

What is the SMILES notation for 3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?

The canonical SMILES for 3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is FC(F)(F)c1sc(-c2nc(-c3cccc4[nH]ccc34)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3cccc4ccccc34)no2)cc1-c1ccccc1.Nc1cc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)ccn1.

What is the InChIKey of 3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?

The InChIKey is BJSHGDQZVMAUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F3N2OS.C21H12F3N3OS.C20H11F3N4OS.C18H11F3N4OS/c24-23(25,26)20-18(15-7-2-1-3-8-15)13-19(30-20)22-27-21(28-29-22)17-12-6-10-14-9-4-5-11-16(14)17;22-21(23,24)18-15(12-5-2-1-3-6-12)11-17(29-18)20-26-19(27-28-20)14-7-4-8-16-13(14)9-10-25-16;21-20(22,23)17-13(11-5-2-1-3-6-11)9-15(29-17)19-26-18(27-28-19)12-7-4-8-14-16(12)25-10-24-14;19-18(20,21)15-12(10-4-2-1-3-5-10)9-13(27-15)17-24-16(25-26-17)11-6-7-23-14(22)8-11/h1-13H;1-11,25H;1-10H,(H,24,25);1-9H,(H2,22,23).

What are the key properties of 3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?

3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 1634.61 g/mol, XLogP of 25.09, 12 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 157370605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).