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;[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;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole

C134H138F6N18O17 — CID 158323804

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;[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;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole

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;[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;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 158323804) has the molecular formula C134H138F6N18O17 and a molecular weight of 2386.67 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;[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;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

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;[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;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 158323804
• Molecular Formula: C134H138F6N18O17
• Molecular Weight: 2386.67 g/mol
• Exact Mass: 2385.04
• 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;[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;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CCOc1ccc(-c2nc(-c3ccc(CN(C)C)c(C)c3)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)cc3C)no2)cc1OCC.Cc1cnccc1-c1noc(-c2ccc(-c3ccccc3)c(C(F)(F)F)c2)n1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1-c1ccccc1
• InChI: InChI=1S/C27H34N4O5.C24H29N3O3.C22H27N3O3.C21H14F3N3O.C20H12F3N3O.C20H22N2O4/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;1-6-26-19-11-10-17(13-20(19)27-7-2)22-23-21(24-28-22)16-8-9-18(14-25(4)5)15(3)12-16;1-13-12-25-10-9-16(13)19-26-20(28-27-19)15-7-8-17(14-5-3-2-4-6-14)18(11-15)21(22,23)24;21-20(22,23)17-12-15(6-7-16(17)13-4-2-1-3-5-13)19-25-18(26-27-19)14-8-10-24-11-9-14;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/h8-13,20,22,32H,6-7,14-16H2,1-5H3;8-11,14-15H,4-7,12-13,16H2,1-3H3;8-13H,6-7,14H2,1-5H3;2-12H,1H3;1-12H;6-11,23H,4-5,12H2,1-3H3/t20-,22+;;;;;/m1...../s1
• InChIKey: GPDXIGPZOURTQM-MQRYCREGSA-N
• XLogP: 28.49
• TPSA: 403.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 38
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2386.67
LogP ≤ 5	28.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

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;[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;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

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;[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;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 158323804) 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;[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;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

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;[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;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

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;[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;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3ccc(CN(C)C)c(C)c3)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)cc3C)no2)cc1OCC.Cc1cnccc1-c1noc(-c2ccc(-c3ccccc3)c(C(F)(F)F)c2)n1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1-c1ccccc1.

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;[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;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is GPDXIGPZOURTQM-MQRYCREGSA-N. The full InChI is InChI=1S/C27H34N4O5.C24H29N3O3.C22H27N3O3.C21H14F3N3O.C20H12F3N3O.C20H22N2O4/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;1-6-26-19-11-10-17(13-20(19)27-7-2)22-23-21(24-28-22)16-8-9-18(14-25(4)5)15(3)12-16;1-13-12-25-10-9-16(13)19-26-20(28-27-19)15-7-8-17(14-5-3-2-4-6-14)18(11-15)21(22,23)24;21-20(22,23)17-12-15(6-7-16(17)13-4-2-1-3-5-13)19-25-18(26-27-19)14-8-10-24-11-9-14;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/h8-13,20,22,32H,6-7,14-16H2,1-5H3;8-11,14-15H,4-7,12-13,16H2,1-3H3;8-13H,6-7,14H2,1-5H3;2-12H,1H3;1-12H;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;[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;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

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;[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;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 2386.67 g/mol, XLogP of 28.49, 38 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-[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;[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;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158323804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).