5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[4-[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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide

C135H161N17O22 — CID 158334204

About 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[4-[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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide

5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[4-[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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 158334204) has the molecular formula C135H161N17O22 and a molecular weight of 2373.87 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[4-[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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[4-[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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
• PubChem CID: 158334204
• Molecular Formula: C135H161N17O22
• Molecular Weight: 2373.87 g/mol
• Exact Mass: 2372.20
• IUPAC Name: 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[4-[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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
• SMILES: CCOc1ccc(-c2nc(-c3ccc(CN(C)C)c(C)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CN(C)C)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CN4CCCC4)c(C)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CN4C[C@H](O)C[C@H]4C(=O)N(C)C)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CO)c(C)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CO)cc3C)no2)cc1OCC
• InChI: InChI=1S/C27H34N4O5.C24H29N3O3.2C22H27N3O3.2C20H22N2O4/c1-6-34-23-11-9-19(13-24(23)35-7-2)26-28-25(29-36-26)21-10-8-18(12-17(21)3)15-31-16-20(32)14-22(31)27(33)30(4)5;1-4-28-21-11-10-19(15-22(21)29-5-2)24-25-23(26-30-24)18-8-9-20(17(3)14-18)16-27-12-6-7-13-27;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;1-6-26-19-11-10-17(13-20(19)27-7-2)22-23-21(24-28-22)16-8-9-18(14-25(4)5)15(3)12-16;1-4-24-17-9-7-15(11-18(17)25-5-2)20-21-19(22-26-20)16-8-6-14(12-23)10-13(16)3;1-4-24-17-9-8-15(11-18(17)25-5-2)20-21-19(22-26-20)14-6-7-16(12-23)13(3)10-14/h8-13,20,22,32H,6-7,14-16H2,1-5H3;8-11,14-15H,4-7,12-13,16H2,1-3H3;2*8-13H,6-7,14H2,1-5H3;2*6-11,23H,4-5,12H2,1-3H3/t20-,22+;;;;;/m1...../s1
• InChIKey: GQJNDTOFIMQCHX-MQRYCREGSA-N
• XLogP: 25.78
• TPSA: 438.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 47
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2373.87
LogP ≤ 5	25.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[4-[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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?

The IUPAC name of 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[4-[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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide (CID 158334204) is 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[4-[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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide.

What is the SMILES notation for 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[4-[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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?

The canonical SMILES for 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[4-[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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide is CCOc1ccc(-c2nc(-c3ccc(CN(C)C)c(C)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CN(C)C)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CN4CCCC4)c(C)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CN4C[C@H](O)C[C@H]4C(=O)N(C)C)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CO)c(C)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CO)cc3C)no2)cc1OCC.

What is the InChIKey of 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[4-[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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?

The InChIKey is GQJNDTOFIMQCHX-MQRYCREGSA-N. The full InChI is InChI=1S/C27H34N4O5.C24H29N3O3.2C22H27N3O3.2C20H22N2O4/c1-6-34-23-11-9-19(13-24(23)35-7-2)26-28-25(29-36-26)21-10-8-18(12-17(21)3)15-31-16-20(32)14-22(31)27(33)30(4)5;1-4-28-21-11-10-19(15-22(21)29-5-2)24-25-23(26-30-24)18-8-9-20(17(3)14-18)16-27-12-6-7-13-27;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;1-6-26-19-11-10-17(13-20(19)27-7-2)22-23-21(24-28-22)16-8-9-18(14-25(4)5)15(3)12-16;1-4-24-17-9-7-15(11-18(17)25-5-2)20-21-19(22-26-20)16-8-6-14(12-23)10-13(16)3;1-4-24-17-9-8-15(11-18(17)25-5-2)20-21-19(22-26-20)14-6-7-16(12-23)13(3)10-14/h8-13,20,22,32H,6-7,14-16H2,1-5H3;8-11,14-15H,4-7,12-13,16H2,1-3H3;2*8-13H,6-7,14H2,1-5H3;2*6-11,23H,4-5,12H2,1-3H3/t20-,22+;;;;;/m1...../s1.

What are the key properties of 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[4-[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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?

5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[4-[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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 2373.87 g/mol, XLogP of 25.78, 47 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[4-[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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 158334204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).