5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(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;N,N-dimethyl-1-[3-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole

C116H143N15O11 — CID 157197519

About 5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(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;N,N-dimethyl-1-[3-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole

5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(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;N,N-dimethyl-1-[3-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 157197519) has the molecular formula C116H143N15O11 and a molecular weight of 1923.51 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(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;N,N-dimethyl-1-[3-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(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;N,N-dimethyl-1-[3-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
• PubChem CID: 157197519
• Molecular Formula: C116H143N15O11
• Molecular Weight: 1923.51 g/mol
• Exact Mass: 1922.11
• IUPAC Name: 5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(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;N,N-dimethyl-1-[3-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
• SMILES: CC(C)Cc1ccc(C(C)c2nc(-c3cccc(CN(C)C)c3)no2)cc1.CC(C)Cc1ccc(C(C)c2nc(-c3cccc(CN4CCCC4)c3)no2)cc1.CCOc1ccc(-c2nc(-c3ccc(CN(C)C)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CN4CCCC4)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(CN(C)C)c3C)no2)cc1OCC
• InChI: InChI=1S/C25H31N3O.C24H29N3O3.C23H29N3O.2C22H27N3O3/c1-18(2)15-20-9-11-22(12-10-20)19(3)25-26-24(27-29-25)23-8-6-7-21(16-23)17-28-13-4-5-14-28;1-4-28-21-11-9-19(15-22(21)29-5-2)24-25-23(26-30-24)20-10-8-18(14-17(20)3)16-27-12-6-7-13-27;1-16(2)13-18-9-11-20(12-10-18)17(3)23-24-22(25-27-23)21-8-6-7-19(14-21)15-26(4)5;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/h6-12,16,18-19H,4-5,13-15,17H2,1-3H3;8-11,14-15H,4-7,12-13,16H2,1-3H3;6-12,14,16-17H,13,15H2,1-5H3;2*8-13H,6-7,14H2,1-5H3
• InChIKey: AQKOERWFCBPYQX-UHFFFAOYSA-N
• XLogP: 25.08
• TPSA: 266.18 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 38
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1923.51
LogP ≤ 5	25.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(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;N,N-dimethyl-1-[3-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The IUPAC name of 5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(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;N,N-dimethyl-1-[3-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole (CID 157197519) is 5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(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;N,N-dimethyl-1-[3-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(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;N,N-dimethyl-1-[3-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(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;N,N-dimethyl-1-[3-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole is CC(C)Cc1ccc(C(C)c2nc(-c3cccc(CN(C)C)c3)no2)cc1.CC(C)Cc1ccc(C(C)c2nc(-c3cccc(CN4CCCC4)c3)no2)cc1.CCOc1ccc(-c2nc(-c3ccc(CN(C)C)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CN4CCCC4)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(CN(C)C)c3C)no2)cc1OCC.

What is the InChIKey of 5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(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;N,N-dimethyl-1-[3-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The InChIKey is AQKOERWFCBPYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O.C24H29N3O3.C23H29N3O.2C22H27N3O3/c1-18(2)15-20-9-11-22(12-10-20)19(3)25-26-24(27-29-25)23-8-6-7-21(16-23)17-28-13-4-5-14-28;1-4-28-21-11-9-19(15-22(21)29-5-2)24-25-23(26-30-24)20-10-8-18(14-17(20)3)16-27-12-6-7-13-27;1-16(2)13-18-9-11-20(12-10-18)17(3)23-24-22(25-27-23)21-8-6-7-19(14-21)15-26(4)5;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/h6-12,16,18-19H,4-5,13-15,17H2,1-3H3;8-11,14-15H,4-7,12-13,16H2,1-3H3;6-12,14,16-17H,13,15H2,1-5H3;2*8-13H,6-7,14H2,1-5H3.

What are the key properties of 5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(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;N,N-dimethyl-1-[3-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(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;N,N-dimethyl-1-[3-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 1923.51 g/mol, XLogP of 25.08, 38 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(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;N,N-dimethyl-1-[3-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 157197519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).