5-(3,4-diethoxyphenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3,4-dimethylphenyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;bis(5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole);3-pyridin-4-yl-5-(3-thiophen-2-ylphenyl)-1,2,4-oxadiazole

C109H87F3N20O12S2 — CID 158948003

About 5-(3,4-diethoxyphenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3,4-dimethylphenyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;bis(5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole);3-pyridin-4-yl-5-(3-thiophen-2-ylphenyl)-1,2,4-oxadiazole

5-(3,4-diethoxyphenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3,4-dimethylphenyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;bis(5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole);3-pyridin-4-yl-5-(3-thiophen-2-ylphenyl)-1,2,4-oxadiazole (PubChem CID 158948003) has the molecular formula C109H87F3N20O12S2 and a molecular weight of 1990.15 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3,4-dimethylphenyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;bis(5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole);3-pyridin-4-yl-5-(3-thiophen-2-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(3,4-diethoxyphenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3,4-dimethylphenyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;bis(5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole);3-pyridin-4-yl-5-(3-thiophen-2-ylphenyl)-1,2,4-oxadiazole
• PubChem CID: 158948003
• Molecular Formula: C109H87F3N20O12S2
• Molecular Weight: 1990.15 g/mol
• Exact Mass: 1988.62
• IUPAC Name: 5-(3,4-diethoxyphenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3,4-dimethylphenyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;bis(5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole);3-pyridin-4-yl-5-(3-thiophen-2-ylphenyl)-1,2,4-oxadiazole
• SMILES: CCOc1ccc(-c2nc(-c3ccc(C)c(C)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(C4=NCCN4)cc3)no2)cc1OCC.Cc1cnccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1.c1cc(-c2cocn2)cc(-c2nc(-c3ccncc3)no2)c1.c1cc(-c2cocn2)cc(-c2nc(-c3ccncc3)no2)c1.c1cc(-c2nc(-c3ccncc3)no2)cc(-c2cccs2)c1
• InChI: InChI=1S/C21H22N4O3.C20H22N2O3.C19H12F3N3OS.C17H11N3OS.2C16H10N4O2/c1-3-26-17-10-9-16(13-18(17)27-4-2)21-24-20(25-28-21)15-7-5-14(6-8-15)19-22-11-12-23-19;1-5-23-17-10-9-16(12-18(17)24-6-2)20-21-19(22-25-20)15-8-7-13(3)14(4)11-15;1-11-10-23-8-7-13(11)17-24-18(26-25-17)15-9-14(12-5-3-2-4-6-12)16(27-15)19(20,21)22;1-3-13(15-5-2-10-22-15)11-14(4-1)17-19-16(20-21-17)12-6-8-18-9-7-12;2*1-2-12(14-9-21-10-18-14)8-13(3-1)16-19-15(20-22-16)11-4-6-17-7-5-11/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23);7-12H,5-6H2,1-4H3;2-10H,1H3;1-11H;2*1-10H
• InChIKey: JLBKHJFLGJSOMS-UHFFFAOYSA-N
• XLogP: 25.66
• TPSA: 398.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1990.15
LogP ≤ 5	25.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethoxyphenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3,4-dimethylphenyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;bis(5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole);3-pyridin-4-yl-5-(3-thiophen-2-ylphenyl)-1,2,4-oxadiazole?

The IUPAC name of 5-(3,4-diethoxyphenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3,4-dimethylphenyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;bis(5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole);3-pyridin-4-yl-5-(3-thiophen-2-ylphenyl)-1,2,4-oxadiazole (CID 158948003) is 5-(3,4-diethoxyphenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3,4-dimethylphenyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;bis(5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole);3-pyridin-4-yl-5-(3-thiophen-2-ylphenyl)-1,2,4-oxadiazole.

What is the SMILES notation for 5-(3,4-diethoxyphenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3,4-dimethylphenyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;bis(5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole);3-pyridin-4-yl-5-(3-thiophen-2-ylphenyl)-1,2,4-oxadiazole?

The canonical SMILES for 5-(3,4-diethoxyphenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3,4-dimethylphenyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;bis(5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole);3-pyridin-4-yl-5-(3-thiophen-2-ylphenyl)-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3ccc(C)c(C)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(C4=NCCN4)cc3)no2)cc1OCC.Cc1cnccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1.c1cc(-c2cocn2)cc(-c2nc(-c3ccncc3)no2)c1.c1cc(-c2cocn2)cc(-c2nc(-c3ccncc3)no2)c1.c1cc(-c2nc(-c3ccncc3)no2)cc(-c2cccs2)c1.

What is the InChIKey of 5-(3,4-diethoxyphenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3,4-dimethylphenyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;bis(5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole);3-pyridin-4-yl-5-(3-thiophen-2-ylphenyl)-1,2,4-oxadiazole?

The InChIKey is JLBKHJFLGJSOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3.C20H22N2O3.C19H12F3N3OS.C17H11N3OS.2C16H10N4O2/c1-3-26-17-10-9-16(13-18(17)27-4-2)21-24-20(25-28-21)15-7-5-14(6-8-15)19-22-11-12-23-19;1-5-23-17-10-9-16(12-18(17)24-6-2)20-21-19(22-25-20)15-8-7-13(3)14(4)11-15;1-11-10-23-8-7-13(11)17-24-18(26-25-17)15-9-14(12-5-3-2-4-6-12)16(27-15)19(20,21)22;1-3-13(15-5-2-10-22-15)11-14(4-1)17-19-16(20-21-17)12-6-8-18-9-7-12;2*1-2-12(14-9-21-10-18-14)8-13(3-1)16-19-15(20-22-16)11-4-6-17-7-5-11/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23);7-12H,5-6H2,1-4H3;2-10H,1H3;1-11H;2*1-10H.

What are the key properties of 5-(3,4-diethoxyphenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3,4-dimethylphenyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;bis(5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole);3-pyridin-4-yl-5-(3-thiophen-2-ylphenyl)-1,2,4-oxadiazole?

5-(3,4-diethoxyphenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3,4-dimethylphenyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;bis(5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole);3-pyridin-4-yl-5-(3-thiophen-2-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 1990.15 g/mol, XLogP of 25.66, 25 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-diethoxyphenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(3,4-dimethylphenyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;bis(5-[3-(1,3-oxazol-4-yl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole);3-pyridin-4-yl-5-(3-thiophen-2-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 158948003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).