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

C110H120N16O18 — CID 160638921

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

5-(3,4-diethoxyphenyl)-3-isoquinolin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)-1H-indol-4-yl]-1,2,4-oxadiazole (PubChem CID 160638921) has the molecular formula C110H120N16O18 and a molecular weight of 1954.26 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-3-isoquinolin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)-1H-indol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(3,4-diethoxyphenyl)-3-isoquinolin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)-1H-indol-4-yl]-1,2,4-oxadiazole
• PubChem CID: 160638921
• Molecular Formula: C110H120N16O18
• Molecular Weight: 1954.26 g/mol
• Exact Mass: 1952.90
• IUPAC Name: 5-(3,4-diethoxyphenyl)-3-isoquinolin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)-1H-indol-4-yl]-1,2,4-oxadiazole
• SMILES: CCOc1ccc(-c2nc(-c3cc4ccccc4cn3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CN4C[C@H](O)C[C@H]4C(=O)N(C)C)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4[nH]cc(CN5CCCC5)c34)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccnc(CO)c3)no2)cc1OCC
• InChI: InChI=1S/C27H34N4O5.C25H28N4O3.C21H19N3O3.C19H20N2O3.C18H19N3O4/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;1-3-30-21-11-10-17(14-22(21)31-4-2)25-27-24(28-32-25)19-8-7-9-20-23(19)18(15-26-20)16-29-12-5-6-13-29;1-3-25-18-10-9-15(12-19(18)26-4-2)21-23-20(24-27-21)17-11-14-7-5-6-8-16(14)13-22-17;1-4-22-16-11-10-15(12-17(16)23-5-2)19-20-18(21-24-19)14-8-6-13(3)7-9-14;1-3-23-15-6-5-13(10-16(15)24-4-2)18-20-17(21-25-18)12-7-8-19-14(9-12)11-22/h8-13,20,22,32H,6-7,14-16H2,1-5H3;7-11,14-15,26H,3-6,12-13,16H2,1-2H3;5-13H,3-4H2,1-2H3;6-12H,4-5H2,1-3H3;5-10,22H,3-4,11H2,1-2H3/t20-,22+;;;;/m1..../s1
• InChIKey: RIXGPZSMRDIFHW-CVXIUOEQSA-N
• XLogP: 21.16
• TPSA: 395.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 36
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1954.26
LogP ≤ 5	21.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of 5-(3,4-diethoxyphenyl)-3-isoquinolin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)-1H-indol-4-yl]-1,2,4-oxadiazole (CID 160638921) is 5-(3,4-diethoxyphenyl)-3-isoquinolin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)-1H-indol-4-yl]-1,2,4-oxadiazole.

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

The canonical SMILES for 5-(3,4-diethoxyphenyl)-3-isoquinolin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)-1H-indol-4-yl]-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3cc4ccccc4cn3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CN4C[C@H](O)C[C@H]4C(=O)N(C)C)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4[nH]cc(CN5CCCC5)c34)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccnc(CO)c3)no2)cc1OCC.

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

The InChIKey is RIXGPZSMRDIFHW-CVXIUOEQSA-N. The full InChI is InChI=1S/C27H34N4O5.C25H28N4O3.C21H19N3O3.C19H20N2O3.C18H19N3O4/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;1-3-30-21-11-10-17(14-22(21)31-4-2)25-27-24(28-32-25)19-8-7-9-20-23(19)18(15-26-20)16-29-12-5-6-13-29;1-3-25-18-10-9-15(12-19(18)26-4-2)21-23-20(24-27-21)17-11-14-7-5-6-8-16(14)13-22-17;1-4-22-16-11-10-15(12-17(16)23-5-2)19-20-18(21-24-19)14-8-6-13(3)7-9-14;1-3-23-15-6-5-13(10-16(15)24-4-2)18-20-17(21-25-18)12-7-8-19-14(9-12)11-22/h8-13,20,22,32H,6-7,14-16H2,1-5H3;7-11,14-15,26H,3-6,12-13,16H2,1-2H3;5-13H,3-4H2,1-2H3;6-12H,4-5H2,1-3H3;5-10,22H,3-4,11H2,1-2H3/t20-,22+;;;;/m1..../s1.

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

5-(3,4-diethoxyphenyl)-3-isoquinolin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)-1H-indol-4-yl]-1,2,4-oxadiazole has a molecular weight of 1954.26 g/mol, XLogP of 21.16, 36 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-diethoxyphenyl)-3-isoquinolin-3-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole;(2S,4R)-1-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methyl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)-1H-indol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 160638921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).