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]phenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol;5-(3,4-diethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole

C156H184N20O22 — CID 161407567

About 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]phenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol;5-(3,4-diethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-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]phenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol;5-(3,4-diethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 161407567) has the molecular formula C156H184N20O22 and a molecular weight of 2691.31 g/mol. Its IUPAC name is 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]phenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol;5-(3,4-diethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 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]phenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol;5-(3,4-diethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
• PubChem CID: 161407567
• Molecular Formula: C156H184N20O22
• Molecular Weight: 2691.31 g/mol
• Exact Mass: 2689.39
• IUPAC Name: 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]phenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol;5-(3,4-diethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
• SMILES: CCOc1ccc(-c2nc(-c3ccc(CCN4CCCC4)cc3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CCO)cc3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CN4CCCC4)cc3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(CN(C)C)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(CN4CCCC4)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(CN4CCCC4)c3C)no2)cc1OCC
• InChI: InChI=1S/2C24H29N3O3.2C23H27N3O3.2C21H25N3O3.C20H22N2O4/c1-4-28-21-12-11-18(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;1-3-28-21-12-11-20(17-22(21)29-4-2)24-25-23(26-30-24)19-9-7-18(8-10-19)13-16-27-14-5-6-15-27;1-3-27-20-12-11-19(15-21(20)28-4-2)23-24-22(25-29-23)18-9-7-17(8-10-18)16-26-13-5-6-14-26;1-3-27-20-11-10-19(15-21(20)28-4-2)23-24-22(25-29-23)18-9-7-8-17(14-18)16-26-12-5-6-13-26;1-5-25-18-12-11-17(13-19(18)26-6-2)21-22-20(23-27-21)16-9-7-15(8-10-16)14-24(3)4;1-5-25-18-11-10-17(13-19(18)26-6-2)21-22-20(23-27-21)16-9-7-8-15(12-16)14-24(3)4;1-3-24-17-10-9-16(13-18(17)25-4-2)20-21-19(22-26-20)15-7-5-14(6-8-15)11-12-23/h8-12,15H,4-7,13-14,16H2,1-3H3;7-12,17H,3-6,13-16H2,1-2H3;7-12,15H,3-6,13-14,16H2,1-2H3;7-11,14-15H,3-6,12-13,16H2,1-2H3;2*7-13H,5-6,14H2,1-4H3;5-10,13,23H,3-4,11-12H2,1-2H3
• InChIKey: VVATUNMOJLOLPI-UHFFFAOYSA-N
• XLogP: 31.80
• TPSA: 441.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 42
• Rotatable Bonds: 57
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2691.31
LogP ≤ 5	31.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 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]phenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol;5-(3,4-diethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The IUPAC name of 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]phenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol;5-(3,4-diethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole (CID 161407567) is 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]phenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol;5-(3,4-diethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 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]phenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol;5-(3,4-diethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 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]phenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol;5-(3,4-diethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3ccc(CCN4CCCC4)cc3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CCO)cc3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CN4CCCC4)cc3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(CN(C)C)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(CN4CCCC4)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(CN4CCCC4)c3C)no2)cc1OCC.

What is the InChIKey of 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]phenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol;5-(3,4-diethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The InChIKey is VVATUNMOJLOLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H29N3O3.2C23H27N3O3.2C21H25N3O3.C20H22N2O4/c1-4-28-21-12-11-18(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;1-3-28-21-12-11-20(17-22(21)29-4-2)24-25-23(26-30-24)19-9-7-18(8-10-19)13-16-27-14-5-6-15-27;1-3-27-20-12-11-19(15-21(20)28-4-2)23-24-22(25-29-23)18-9-7-17(8-10-18)16-26-13-5-6-14-26;1-3-27-20-11-10-19(15-21(20)28-4-2)23-24-22(25-29-23)18-9-7-8-17(14-18)16-26-12-5-6-13-26;1-5-25-18-12-11-17(13-19(18)26-6-2)21-22-20(23-27-21)16-9-7-15(8-10-16)14-24(3)4;1-5-25-18-11-10-17(13-19(18)26-6-2)21-22-20(23-27-21)16-9-7-8-15(12-16)14-24(3)4;1-3-24-17-10-9-16(13-18(17)25-4-2)20-21-19(22-26-20)15-7-5-14(6-8-15)11-12-23/h8-12,15H,4-7,13-14,16H2,1-3H3;7-12,17H,3-6,13-16H2,1-2H3;7-12,15H,3-6,13-14,16H2,1-2H3;7-11,14-15H,3-6,12-13,16H2,1-2H3;2*7-13H,5-6,14H2,1-4H3;5-10,13,23H,3-4,11-12H2,1-2H3.

What are the key properties of 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]phenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol;5-(3,4-diethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-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]phenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol;5-(3,4-diethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 2691.31 g/mol, XLogP of 31.80, 57 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 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]phenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol;5-(3,4-diethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 161407567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).