N-[2-(3,3-difluoropiperidin-1-yl)-5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylsulfonylmethanesulfonamide;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methoxyphenyl)-3-methylphenyl]-1,2,4-oxadiazole

C87H84F6N14O17S2 — CID 157336483

About N-[2-(3,3-difluoropiperidin-1-yl)-5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylsulfonylmethanesulfonamide;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methoxyphenyl)-3-methylphenyl]-1,2,4-oxadiazole

N-[2-(3,3-difluoropiperidin-1-yl)-5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylsulfonylmethanesulfonamide;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methoxyphenyl)-3-methylphenyl]-1,2,4-oxadiazole (PubChem CID 157336483) has the molecular formula C87H84F6N14O17S2 and a molecular weight of 1775.83 g/mol. Its IUPAC name is N-[2-(3,3-difluoropiperidin-1-yl)-5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylsulfonylmethanesulfonamide;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methoxyphenyl)-3-methylphenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: N-[2-(3,3-difluoropiperidin-1-yl)-5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylsulfonylmethanesulfonamide;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methoxyphenyl)-3-methylphenyl]-1,2,4-oxadiazole
• PubChem CID: 157336483
• Molecular Formula: C87H84F6N14O17S2
• Molecular Weight: 1775.83 g/mol
• Exact Mass: 1774.55
• IUPAC Name: N-[2-(3,3-difluoropiperidin-1-yl)-5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylsulfonylmethanesulfonamide;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methoxyphenyl)-3-methylphenyl]-1,2,4-oxadiazole
• SMILES: CC1CCC(C)N1c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1[N+](=O)[O-].COc1ccc(F)cc1-c1noc(-c2ccc(N3C(C)CCC3C)c([N+](=O)[O-])c2)n1.COc1ccccc1-c1noc(-c2ccc(-c3ccccc3OC)c(C)c2)n1.COc1ccccc1-c1noc(-c2ccc(N3CCCC(F)(F)C3)c(N(S(C)(=O)=O)S(C)(=O)=O)c2)n1
• InChI: InChI=1S/C23H20N2O3.C22H24F2N4O6S2.C21H19F3N4O4.C21H21FN4O4/c1-15-14-16(12-13-17(15)18-8-4-6-10-20(18)26-2)23-24-22(25-28-23)19-9-5-7-11-21(19)27-3;1-33-19-8-5-4-7-16(19)20-25-21(34-26-20)15-9-10-17(27-12-6-11-22(23,24)14-27)18(13-15)28(35(2,29)30)36(3,31)32;1-12-7-8-13(2)27(12)16-10-9-14(11-17(16)28(29)30)20-25-19(26-32-20)15-5-3-4-6-18(15)31-21(22,23)24;1-12-4-5-13(2)25(12)17-8-6-14(10-18(17)26(27)28)21-23-20(24-30-21)16-11-15(22)7-9-19(16)29-3/h4-14H,1-3H3;4-5,7-10,13H,6,11-12,14H2,1-3H3;3-6,9-13H,7-8H2,1-2H3;6-13H,4-5H2,1-3H3
• InChIKey: BFWZDSOYJPNANR-UHFFFAOYSA-N
• XLogP: 19.19
• TPSA: 369.35 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1775.83
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluoropiperidin-1-yl)-5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylsulfonylmethanesulfonamide;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methoxyphenyl)-3-methylphenyl]-1,2,4-oxadiazole?

The IUPAC name of N-[2-(3,3-difluoropiperidin-1-yl)-5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylsulfonylmethanesulfonamide;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methoxyphenyl)-3-methylphenyl]-1,2,4-oxadiazole (CID 157336483) is N-[2-(3,3-difluoropiperidin-1-yl)-5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylsulfonylmethanesulfonamide;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methoxyphenyl)-3-methylphenyl]-1,2,4-oxadiazole.

What is the SMILES notation for N-[2-(3,3-difluoropiperidin-1-yl)-5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylsulfonylmethanesulfonamide;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methoxyphenyl)-3-methylphenyl]-1,2,4-oxadiazole?

The canonical SMILES for N-[2-(3,3-difluoropiperidin-1-yl)-5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylsulfonylmethanesulfonamide;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methoxyphenyl)-3-methylphenyl]-1,2,4-oxadiazole is CC1CCC(C)N1c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1[N+](=O)[O-].COc1ccc(F)cc1-c1noc(-c2ccc(N3C(C)CCC3C)c([N+](=O)[O-])c2)n1.COc1ccccc1-c1noc(-c2ccc(-c3ccccc3OC)c(C)c2)n1.COc1ccccc1-c1noc(-c2ccc(N3CCCC(F)(F)C3)c(N(S(C)(=O)=O)S(C)(=O)=O)c2)n1.

What is the InChIKey of N-[2-(3,3-difluoropiperidin-1-yl)-5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylsulfonylmethanesulfonamide;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methoxyphenyl)-3-methylphenyl]-1,2,4-oxadiazole?

The InChIKey is BFWZDSOYJPNANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3.C22H24F2N4O6S2.C21H19F3N4O4.C21H21FN4O4/c1-15-14-16(12-13-17(15)18-8-4-6-10-20(18)26-2)23-24-22(25-28-23)19-9-5-7-11-21(19)27-3;1-33-19-8-5-4-7-16(19)20-25-21(34-26-20)15-9-10-17(27-12-6-11-22(23,24)14-27)18(13-15)28(35(2,29)30)36(3,31)32;1-12-7-8-13(2)27(12)16-10-9-14(11-17(16)28(29)30)20-25-19(26-32-20)15-5-3-4-6-18(15)31-21(22,23)24;1-12-4-5-13(2)25(12)17-8-6-14(10-18(17)26(27)28)21-23-20(24-30-21)16-11-15(22)7-9-19(16)29-3/h4-14H,1-3H3;4-5,7-10,13H,6,11-12,14H2,1-3H3;3-6,9-13H,7-8H2,1-2H3;6-13H,4-5H2,1-3H3.

What are the key properties of N-[2-(3,3-difluoropiperidin-1-yl)-5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylsulfonylmethanesulfonamide;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methoxyphenyl)-3-methylphenyl]-1,2,4-oxadiazole?

N-[2-(3,3-difluoropiperidin-1-yl)-5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylsulfonylmethanesulfonamide;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methoxyphenyl)-3-methylphenyl]-1,2,4-oxadiazole has a molecular weight of 1775.83 g/mol, XLogP of 19.19, 22 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,3-difluoropiperidin-1-yl)-5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylsulfonylmethanesulfonamide;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2,5-dimethylpyrrolidin-1-yl)-3-nitrophenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methoxyphenyl)-3-methylphenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 157336483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).