5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole

C121H115F3N14O13S — CID 161265439

About 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole

5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (PubChem CID 161265439) has the molecular formula C121H115F3N14O13S and a molecular weight of 2062.40 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
• PubChem CID: 161265439
• Molecular Formula: C121H115F3N14O13S
• Molecular Weight: 2062.40 g/mol
• Exact Mass: 2060.84
• IUPAC Name: 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
• SMILES: CCOc1cc(OCC)cc(-c2nc(-c3ccccc3C)no2)c1.CCOc1ccc(-c2nc(-c3ccc4c(c3)NCC4)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4c3CCN4C)no2)cc1OCC.Cc1ccccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1.Cc1ccccc1-c1noc(-c2cccc(CCC(C)C)c2)n1.Cc1ccccc1-c1noc(-c2cccc(Oc3ccccc3)c2)n1
• InChI: InChI=1S/C21H23N3O3.C21H16N2O2.C20H13F3N2OS.C20H21N3O3.C20H22N2O.C19H20N2O3/c1-4-25-18-10-9-14(13-19(18)26-5-2)21-22-20(23-27-21)16-7-6-8-17-15(16)11-12-24(17)3;1-15-8-5-6-13-19(15)20-22-21(25-23-20)16-9-7-12-18(14-16)24-17-10-3-2-4-11-17;1-12-7-5-6-10-14(12)18-24-19(26-25-18)16-11-15(13-8-3-2-4-9-13)17(27-16)20(21,22)23;1-3-24-17-8-7-15(12-18(17)25-4-2)20-22-19(23-26-20)14-6-5-13-9-10-21-16(13)11-14;1-14(2)11-12-16-8-6-9-17(13-16)20-21-19(22-23-20)18-10-5-4-7-15(18)3;1-4-22-15-10-14(11-16(12-15)23-5-2)19-20-18(21-24-19)17-9-7-6-8-13(17)3/h6-10,13H,4-5,11-12H2,1-3H3;2-14H,1H3;2-11H,1H3;5-8,11-12,21H,3-4,9-10H2,1-2H3;4-10,13-14H,11-12H2,1-3H3;6-12H,4-5H2,1-3H3
• InChIKey: VDCQMGXOJUIOEU-UHFFFAOYSA-N
• XLogP: 30.14
• TPSA: 313.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2062.40
LogP ≤ 5	30.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The IUPAC name of 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (CID 161265439) is 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The canonical SMILES for 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is CCOc1cc(OCC)cc(-c2nc(-c3ccccc3C)no2)c1.CCOc1ccc(-c2nc(-c3ccc4c(c3)NCC4)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4c3CCN4C)no2)cc1OCC.Cc1ccccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1.Cc1ccccc1-c1noc(-c2cccc(CCC(C)C)c2)n1.Cc1ccccc1-c1noc(-c2cccc(Oc3ccccc3)c2)n1.

What is the InChIKey of 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The InChIKey is VDCQMGXOJUIOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3.C21H16N2O2.C20H13F3N2OS.C20H21N3O3.C20H22N2O.C19H20N2O3/c1-4-25-18-10-9-14(13-19(18)26-5-2)21-22-20(23-27-21)16-7-6-8-17-15(16)11-12-24(17)3;1-15-8-5-6-13-19(15)20-22-21(25-23-20)16-9-7-12-18(14-16)24-17-10-3-2-4-11-17;1-12-7-5-6-10-14(12)18-24-19(26-25-18)16-11-15(13-8-3-2-4-9-13)17(27-16)20(21,22)23;1-3-24-17-8-7-15(12-18(17)25-4-2)20-22-19(23-26-20)14-6-5-13-9-10-21-16(13)11-14;1-14(2)11-12-16-8-6-9-17(13-16)20-21-19(22-23-20)18-10-5-4-7-15(18)3;1-4-22-15-10-14(11-16(12-15)23-5-2)19-20-18(21-24-19)17-9-7-6-8-13(17)3/h6-10,13H,4-5,11-12H2,1-3H3;2-14H,1H3;2-11H,1H3;5-8,11-12,21H,3-4,9-10H2,1-2H3;4-10,13-14H,11-12H2,1-3H3;6-12H,4-5H2,1-3H3.

What are the key properties of 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole has a molecular weight of 2062.40 g/mol, XLogP of 30.14, 30 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 161265439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).