5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;N-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine;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]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C132H152F3N17O21 — CID 159218845

About 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;N-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine;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]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;N-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine;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]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 159218845) has the molecular formula C132H152F3N17O21 and a molecular weight of 2369.76 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;N-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine;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]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;N-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine;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]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
• PubChem CID: 159218845
• Molecular Formula: C132H152F3N17O21
• Molecular Weight: 2369.76 g/mol
• Exact Mass: 2368.13
• IUPAC Name: 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;N-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine;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]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-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(CO)c(C)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CO)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(OC(F)(F)F)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4[nH]cc(CNCCN(CC)CC)c34)no2)cc1OCC
• InChI: InChI=1S/C27H35N5O3.C24H29N3O3.C22H27N3O3.2C20H22N2O4.C19H17F3N2O4/c1-5-32(6-2)15-14-28-17-20-18-29-22-11-9-10-21(25(20)22)26-30-27(35-31-26)19-12-13-23(33-7-3)24(16-19)34-8-4;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;1-4-24-17-9-7-15(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;1-3-25-15-9-8-13(11-16(15)26-4-2)18-23-17(24-28-18)12-6-5-7-14(10-12)27-19(20,21)22/h9-13,16,18,28-29H,5-8,14-15,17H2,1-4H3;8-11,14-15H,4-7,12-13,16H2,1-3H3;8-13H,6-7,14H2,1-5H3;2*6-11,23H,4-5,12H2,1-3H3;5-11H,3-4H2,1-2H3
• InChIKey: KRKRTYKNGXOPID-UHFFFAOYSA-N
• XLogP: 27.89
• TPSA: 431.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 50
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2369.76
LogP ≤ 5	27.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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;N-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine;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]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The IUPAC name of 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;N-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine;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]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 159218845) is 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;N-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine;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]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-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;N-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine;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]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;N-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine;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]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-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(CO)c(C)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CO)cc3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(OC(F)(F)F)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4[nH]cc(CNCCN(CC)CC)c34)no2)cc1OCC.

What is the InChIKey of 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;N-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine;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]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The InChIKey is KRKRTYKNGXOPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3.C24H29N3O3.C22H27N3O3.2C20H22N2O4.C19H17F3N2O4/c1-5-32(6-2)15-14-28-17-20-18-29-22-11-9-10-21(25(20)22)26-30-27(35-31-26)19-12-13-23(33-7-3)24(16-19)34-8-4;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;1-4-24-17-9-7-15(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;1-3-25-15-9-8-13(11-16(15)26-4-2)18-23-17(24-28-18)12-6-5-7-14(10-12)27-19(20,21)22/h9-13,16,18,28-29H,5-8,14-15,17H2,1-4H3;8-11,14-15H,4-7,12-13,16H2,1-3H3;8-13H,6-7,14H2,1-5H3;2*6-11,23H,4-5,12H2,1-3H3;5-11H,3-4H2,1-2H3.

What are the key properties of 5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;N-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine;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]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;N-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine;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]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 2369.76 g/mol, XLogP of 27.89, 50 rotatable bonds, 4 hydrogen bond donors, and 37 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;N-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine;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]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 159218845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).