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

C87H71F6N13O9S2 — CID 162143764

About 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-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;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-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-[4-phenyl-5-(trifluoromethyl)thiophen-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;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (PubChem CID 162143764) has the molecular formula C87H71F6N13O9S2 and a molecular weight of 1620.73 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-[4-phenyl-5-(trifluoromethyl)thiophen-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;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-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-[4-phenyl-5-(trifluoromethyl)thiophen-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;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
• PubChem CID: 162143764
• Molecular Formula: C87H71F6N13O9S2
• Molecular Weight: 1620.73 g/mol
• Exact Mass: 1619.48
• IUPAC Name: 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-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;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
• SMILES: CCOc1ccc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4c3CCC4N3CC[C@@H](O)C3)no2)cc1OCC.FC(F)(F)c1sc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3cccc4ccccc34)no2)cc1-c1ccccc1
• InChI: InChI=1S/C25H29N3O4.C23H13F3N2OS.C20H11F3N4OS.C19H18N4O3/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;24-23(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;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;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/h5-8,11,14,17,21,29H,3-4,9-10,12-13,15H2,1-2H3;1-13H;1-10H,(H,24,25);5-11H,3-4H2,1-2H3,(H,20,21)/t17-,21?;;;/m1.../s1
• InChIKey: ZKGWFPMDKSVWRY-CGCNSBEKSA-N
• XLogP: 21.66
• TPSA: 273.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1620.73
LogP ≤ 5	21.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

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-[4-phenyl-5-(trifluoromethyl)thiophen-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;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-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-[4-phenyl-5-(trifluoromethyl)thiophen-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;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (CID 162143764) is 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-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;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-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-[4-phenyl-5-(trifluoromethyl)thiophen-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;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-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-[4-phenyl-5-(trifluoromethyl)thiophen-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;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4c3CCC4N3CC[C@@H](O)C3)no2)cc1OCC.FC(F)(F)c1sc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3cccc4ccccc34)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-[4-phenyl-5-(trifluoromethyl)thiophen-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;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The InChIKey is ZKGWFPMDKSVWRY-CGCNSBEKSA-N. The full InChI is InChI=1S/C25H29N3O4.C23H13F3N2OS.C20H11F3N4OS.C19H18N4O3/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;24-23(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;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;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/h5-8,11,14,17,21,29H,3-4,9-10,12-13,15H2,1-2H3;1-13H;1-10H,(H,24,25);5-11H,3-4H2,1-2H3,(H,20,21)/t17-,21?;;;/m1.../s1.

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-[4-phenyl-5-(trifluoromethyl)thiophen-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;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-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-[4-phenyl-5-(trifluoromethyl)thiophen-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;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole has a molecular weight of 1620.73 g/mol, XLogP of 21.66, 19 rotatable bonds, 3 hydrogen bond donors, and 22 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-[4-phenyl-5-(trifluoromethyl)thiophen-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;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 162143764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).