5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole

C103H99F5N34O13S2 — CID 159071241

About 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole

5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 159071241) has the molecular formula C103H99F5N34O13S2 and a molecular weight of 2180.27 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
• PubChem CID: 159071241
• Molecular Formula: C103H99F5N34O13S2
• Molecular Weight: 2180.27 g/mol
• Exact Mass: 2178.75
• IUPAC Name: 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
• SMILES: COCc1c(-c2nc(-c3cccc(CN4CCN(C)CC4)c3)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3cccc(Cn4cncn4)c3)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(C3CCN(S(C)(=O)=O)CC3)no2)nnn1-c1ccccc1F.CS(=O)(=O)N1CCC(c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)CC1.Fc1ccccc1-n1nnc(-c2nc(-c3ccccn3)no2)c1C1CCCO1
• InChI: InChI=1S/C24H26FN7O2.C21H17FN8O2.C21H20FN7O3S.C19H15FN6O2.C18H21FN6O4S/c1-30-10-12-31(13-11-30)15-17-6-5-7-18(14-17)23-26-24(34-28-23)22-21(16-33-2)32(29-27-22)20-9-4-3-8-19(20)25;1-31-11-18-19(26-28-30(18)17-8-3-2-7-16(17)22)21-25-20(27-32-21)15-6-4-5-14(9-15)10-29-13-23-12-24-29;1-33(30,31)28-12-8-15(9-13-28)20-24-21(32-26-20)18-19(14-6-10-23-11-7-14)29(27-25-18)17-5-3-2-4-16(17)22;20-12-6-1-2-8-14(12)26-17(15-9-5-11-27-15)16(23-25-26)19-22-18(24-28-19)13-7-3-4-10-21-13;1-28-11-15-16(21-23-25(15)14-6-4-3-5-13(14)19)18-20-17(22-29-18)12-7-9-24(10-8-12)30(2,26)27/h3-9,14H,10-13,15-16H2,1-2H3;2-9,12-13H,10-11H2,1H3;2-7,10-11,15H,8-9,12-13H2,1H3;1-4,6-8,10,15H,5,9,11H2;3-6,12H,7-11H2,1-2H3
• InChIKey: JZRDIWSQGALLSO-UHFFFAOYSA-N
• XLogP: 13.70
• TPSA: 522.80 Ų
• H-Bond Acceptors: 45
• Rotatable Bonds: 29
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2180.27
LogP ≤ 5	13.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?

The IUPAC name of 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole (CID 159071241) is 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole.

What is the SMILES notation for 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?

The canonical SMILES for 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole is COCc1c(-c2nc(-c3cccc(CN4CCN(C)CC4)c3)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3cccc(Cn4cncn4)c3)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(C3CCN(S(C)(=O)=O)CC3)no2)nnn1-c1ccccc1F.CS(=O)(=O)N1CCC(c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)CC1.Fc1ccccc1-n1nnc(-c2nc(-c3ccccn3)no2)c1C1CCCO1.

What is the InChIKey of 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?

The InChIKey is JZRDIWSQGALLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2.C21H17FN8O2.C21H20FN7O3S.C19H15FN6O2.C18H21FN6O4S/c1-30-10-12-31(13-11-30)15-17-6-5-7-18(14-17)23-26-24(34-28-23)22-21(16-33-2)32(29-27-22)20-9-4-3-8-19(20)25;1-31-11-18-19(26-28-30(18)17-8-3-2-7-16(17)22)21-25-20(27-32-21)15-6-4-5-14(9-15)10-29-13-23-12-24-29;1-33(30,31)28-12-8-15(9-13-28)20-24-21(32-26-20)18-19(14-6-10-23-11-7-14)29(27-25-18)17-5-3-2-4-16(17)22;20-12-6-1-2-8-14(12)26-17(15-9-5-11-27-15)16(23-25-26)19-22-18(24-28-19)13-7-3-4-10-21-13;1-28-11-15-16(21-23-25(15)14-6-4-3-5-13(14)19)18-20-17(22-29-18)12-7-9-24(10-8-12)30(2,26)27/h3-9,14H,10-13,15-16H2,1-2H3;2-9,12-13H,10-11H2,1H3;2-7,10-11,15H,8-9,12-13H2,1H3;1-4,6-8,10,15H,5,9,11H2;3-6,12H,7-11H2,1-2H3.

What are the key properties of 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?

5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 2180.27 g/mol, XLogP of 13.70, 29 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 159071241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).