5-(3,4-diethoxyphenyl)-3-(4-isocyano-2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-N,N-dimethylmethanamine;[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C132H141F3N18O17 — CID 159358181

About 5-(3,4-diethoxyphenyl)-3-(4-isocyano-2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-N,N-dimethylmethanamine;[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-(3,4-diethoxyphenyl)-3-(4-isocyano-2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-N,N-dimethylmethanamine;[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 159358181) has the molecular formula C132H141F3N18O17 and a molecular weight of 2308.68 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-3-(4-isocyano-2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-N,N-dimethylmethanamine;[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(3,4-diethoxyphenyl)-3-(4-isocyano-2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-N,N-dimethylmethanamine;[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
• PubChem CID: 159358181
• Molecular Formula: C132H141F3N18O17
• Molecular Weight: 2308.68 g/mol
• Exact Mass: 2307.07
• IUPAC Name: 5-(3,4-diethoxyphenyl)-3-(4-isocyano-2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-N,N-dimethylmethanamine;[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
• SMILES: CCOc1ccc(-c2nc(-c3ccc(CN(C)C)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(CN(C)C)c3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(CN4CCCC4)c3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(CO)c3C)no2)cc1OCC.FC(F)(F)c1cc(-c2nc(-c3ccc(C4N=CCN4)cc3)no2)ccc1-c1ccccc1.[C-]#[N+]c1ccc(-c2noc(-c3ccc(OCC)c(OCC)c3)n2)c(C)c1
• InChI: InChI=1S/C24H17F3N4O.C24H29N3O3.2C22H27N3O3.C20H19N3O3.C20H22N2O4/c25-24(26,27)20-14-18(10-11-19(20)15-4-2-1-3-5-15)23-30-22(31-32-23)17-8-6-16(7-9-17)21-28-12-13-29-21;1-4-28-21-12-11-18(15-22(21)29-5-2)24-25-23(26-30-24)20-10-8-9-19(17(20)3)16-27-13-6-7-14-27;1-6-26-19-11-9-17(13-20(19)27-7-2)22-23-21(24-28-22)18-10-8-16(12-15(18)3)14-25(4)5;1-6-26-19-12-11-16(13-20(19)27-7-2)22-23-21(24-28-22)18-10-8-9-17(15(18)3)14-25(4)5;1-5-24-17-10-7-14(12-18(17)25-6-2)20-22-19(23-26-20)16-9-8-15(21-4)11-13(16)3;1-4-24-17-10-9-14(11-18(17)25-5-2)20-21-19(22-26-20)16-8-6-7-15(12-23)13(16)3/h1-12,14,21,29H,13H2;8-12,15H,4-7,13-14,16H2,1-3H3;2*8-13H,6-7,14H2,1-5H3;7-12H,5-6H2,1-3H3;6-11,23H,4-5,12H2,1-3H3
• InChIKey: LIEQGOPXZVEHCP-UHFFFAOYSA-N
• XLogP: 29.07
• TPSA: 384.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 41
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2308.68
LogP ≤ 5	29.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethoxyphenyl)-3-(4-isocyano-2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-N,N-dimethylmethanamine;[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?

The IUPAC name of 5-(3,4-diethoxyphenyl)-3-(4-isocyano-2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-N,N-dimethylmethanamine;[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 159358181) is 5-(3,4-diethoxyphenyl)-3-(4-isocyano-2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-N,N-dimethylmethanamine;[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-(3,4-diethoxyphenyl)-3-(4-isocyano-2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-N,N-dimethylmethanamine;[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-(3,4-diethoxyphenyl)-3-(4-isocyano-2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-N,N-dimethylmethanamine;[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3ccc(CN(C)C)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(CN(C)C)c3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(CN4CCCC4)c3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(CO)c3C)no2)cc1OCC.FC(F)(F)c1cc(-c2nc(-c3ccc(C4N=CCN4)cc3)no2)ccc1-c1ccccc1.[C-]#[N+]c1ccc(-c2noc(-c3ccc(OCC)c(OCC)c3)n2)c(C)c1.

What is the InChIKey of 5-(3,4-diethoxyphenyl)-3-(4-isocyano-2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-N,N-dimethylmethanamine;[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?

The InChIKey is LIEQGOPXZVEHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O.C24H29N3O3.2C22H27N3O3.C20H19N3O3.C20H22N2O4/c25-24(26,27)20-14-18(10-11-19(20)15-4-2-1-3-5-15)23-30-22(31-32-23)17-8-6-16(7-9-17)21-28-12-13-29-21;1-4-28-21-12-11-18(15-22(21)29-5-2)24-25-23(26-30-24)20-10-8-9-19(17(20)3)16-27-13-6-7-14-27;1-6-26-19-11-9-17(13-20(19)27-7-2)22-23-21(24-28-22)18-10-8-16(12-15(18)3)14-25(4)5;1-6-26-19-12-11-16(13-20(19)27-7-2)22-23-21(24-28-22)18-10-8-9-17(15(18)3)14-25(4)5;1-5-24-17-10-7-14(12-18(17)25-6-2)20-22-19(23-26-20)16-9-8-15(21-4)11-13(16)3;1-4-24-17-10-9-14(11-18(17)25-5-2)20-21-19(22-26-20)16-8-6-7-15(12-23)13(16)3/h1-12,14,21,29H,13H2;8-12,15H,4-7,13-14,16H2,1-3H3;2*8-13H,6-7,14H2,1-5H3;7-12H,5-6H2,1-3H3;6-11,23H,4-5,12H2,1-3H3.

What are the key properties of 5-(3,4-diethoxyphenyl)-3-(4-isocyano-2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-N,N-dimethylmethanamine;[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?

5-(3,4-diethoxyphenyl)-3-(4-isocyano-2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-N,N-dimethylmethanamine;[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 2308.68 g/mol, XLogP of 29.07, 41 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-diethoxyphenyl)-3-(4-isocyano-2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-N,N-dimethylmethanamine;[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 159358181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).