3-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile;N-[5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)phenyl]methanesulfonamide;3-(2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C128H126F10N20O14S2 — CID 157110663

About 3-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile;N-[5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)phenyl]methanesulfonamide;3-(2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

3-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile;N-[5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)phenyl]methanesulfonamide;3-(2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 157110663) has the molecular formula C128H126F10N20O14S2 and a molecular weight of 2422.66 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile;N-[5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)phenyl]methanesulfonamide;3-(2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile;N-[5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)phenyl]methanesulfonamide;3-(2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
• PubChem CID: 157110663
• Molecular Formula: C128H126F10N20O14S2
• Molecular Weight: 2422.66 g/mol
• Exact Mass: 2420.90
• IUPAC Name: 3-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile;N-[5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)phenyl]methanesulfonamide;3-(2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
• SMILES: COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3)c(C)c2)n1.COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c(C#N)c2)n1.COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c(N)c2)n1.COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c(NS(C)(=O)=O)c2)n1.COc1ccccc1-c1noc(-c2ccc(N3CCCCC3)c(C)c2)n1.Cc1cscc1-c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C(F)(F)F
• InChI: InChI=1S/C22H25FN4O4S.C22H21FN4O2.C21H12F6N2O2S.C21H23FN4O2.C21H22FN3O2.C21H23N3O2/c1-14-6-4-5-11-27(14)19-9-7-15(12-18(19)26-32(3,28)29)22-24-21(25-31-22)17-13-16(23)8-10-20(17)30-2;1-14-5-3-4-10-27(14)19-8-6-15(11-16(19)13-24)22-25-21(26-29-22)18-12-17(23)7-9-20(18)28-2;1-11-9-32-10-15(11)13-7-6-12(8-16(13)20(22,23)24)19-28-18(29-31-19)14-4-2-3-5-17(14)30-21(25,26)27;1-13-5-3-4-10-26(13)18-8-6-14(11-17(18)23)21-24-20(25-28-21)16-12-15(22)7-9-19(16)27-2;1-14-12-15(6-8-18(14)25-10-4-3-5-11-25)21-23-20(24-27-21)17-13-16(22)7-9-19(17)26-2;1-15-14-16(10-11-18(15)24-12-6-3-7-13-24)21-22-20(23-26-21)17-8-4-5-9-19(17)25-2/h7-10,12-14,26H,4-6,11H2,1-3H3;6-9,11-12,14H,3-5,10H2,1-2H3;2-10H,1H3;6-9,11-13H,3-5,10,23H2,1-2H3;6-9,12-13H,3-5,10-11H2,1-2H3;4-5,8-11,14H,3,6-7,12-13H2,1-2H3
• InChIKey: AGUUDEMARCVEBE-UHFFFAOYSA-N
• XLogP: 30.53
• TPSA: 401.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2422.66
LogP ≤ 5	30.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile;N-[5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)phenyl]methanesulfonamide;3-(2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile;N-[5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)phenyl]methanesulfonamide;3-(2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 157110663) is 3-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile;N-[5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)phenyl]methanesulfonamide;3-(2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile;N-[5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)phenyl]methanesulfonamide;3-(2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile;N-[5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)phenyl]methanesulfonamide;3-(2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3)c(C)c2)n1.COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c(C#N)c2)n1.COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c(N)c2)n1.COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c(NS(C)(=O)=O)c2)n1.COc1ccccc1-c1noc(-c2ccc(N3CCCCC3)c(C)c2)n1.Cc1cscc1-c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C(F)(F)F.

What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile;N-[5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)phenyl]methanesulfonamide;3-(2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The InChIKey is AGUUDEMARCVEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O4S.C22H21FN4O2.C21H12F6N2O2S.C21H23FN4O2.C21H22FN3O2.C21H23N3O2/c1-14-6-4-5-11-27(14)19-9-7-15(12-18(19)26-32(3,28)29)22-24-21(25-31-22)17-13-16(23)8-10-20(17)30-2;1-14-5-3-4-10-27(14)19-8-6-15(11-16(19)13-24)22-25-21(26-29-22)18-12-17(23)7-9-20(18)28-2;1-11-9-32-10-15(11)13-7-6-12(8-16(13)20(22,23)24)19-28-18(29-31-19)14-4-2-3-5-17(14)30-21(25,26)27;1-13-5-3-4-10-26(13)18-8-6-14(11-17(18)23)21-24-20(25-28-21)16-12-15(22)7-9-19(16)27-2;1-14-12-15(6-8-18(14)25-10-4-3-5-11-25)21-23-20(24-27-21)17-13-16(22)7-9-19(17)26-2;1-15-14-16(10-11-18(15)24-12-6-3-7-13-24)21-22-20(23-26-21)17-8-4-5-9-19(17)25-2/h7-10,12-14,26H,4-6,11H2,1-3H3;6-9,11-12,14H,3-5,10H2,1-2H3;2-10H,1H3;6-9,11-13H,3-5,10,23H2,1-2H3;6-9,12-13H,3-5,10-11H2,1-2H3;4-5,8-11,14H,3,6-7,12-13H2,1-2H3.

What are the key properties of 3-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile;N-[5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)phenyl]methanesulfonamide;3-(2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

3-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile;N-[5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)phenyl]methanesulfonamide;3-(2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 2422.66 g/mol, XLogP of 30.53, 26 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-fluoro-2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline;5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile;N-[5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)phenyl]methanesulfonamide;3-(2-methoxyphenyl)-5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 157110663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).