3-(3-fluoro-4-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole

C108H78F6N30O8S — CID 161189656

About 3-(3-fluoro-4-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole

3-(3-fluoro-4-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 161189656) has the molecular formula C108H78F6N30O8S and a molecular weight of 2070.07 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(3-fluoro-4-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
• PubChem CID: 161189656
• Molecular Formula: C108H78F6N30O8S
• Molecular Weight: 2070.07 g/mol
• Exact Mass: 2068.62
• IUPAC Name: 3-(3-fluoro-4-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
• SMILES: CN(C)Cc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.COCc1c(-c2nc(-c3cccc(S(C)(=O)=O)c3)no2)nnn1-c1ccccc1F.Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1F.Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccncc1
• InChI: InChI=1S/C24H20FN7O.C22H14F2N6O.C22H15FN6O.C21H13FN6O.C19H16FN5O4S/c1-31(2)15-16-6-5-7-18(14-16)23-27-24(33-29-23)21-22(17-10-12-26-13-11-17)32(30-28-21)20-9-4-3-8-19(20)25;1-13-6-7-15(12-17(13)24)21-26-22(31-28-21)19-20(14-8-10-25-11-9-14)30(29-27-19)18-5-3-2-4-16(18)23;1-14-6-8-16(9-7-14)21-25-22(30-27-21)19-20(15-10-12-24-13-11-15)29(28-26-19)18-5-3-2-4-17(18)23;22-16-8-4-5-9-17(16)28-19(14-10-12-23-13-11-14)18(25-27-28)21-24-20(26-29-21)15-6-2-1-3-7-15;1-28-11-16-17(22-24-25(16)15-9-4-3-8-14(15)20)19-21-18(23-29-19)12-6-5-7-13(10-12)30(2,26)27/h3-14H,15H2,1-2H3;2-12H,1H3;2-13H,1H3;1-13H;3-10H,11H2,1-2H3
• InChIKey: UTNWLXAFVQWEFZ-UHFFFAOYSA-N
• XLogP: 20.23
• TPSA: 446.32 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.07
LogP ≤ 5	20.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?

The IUPAC name of 3-(3-fluoro-4-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole (CID 161189656) is 3-(3-fluoro-4-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?

The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole is CN(C)Cc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.COCc1c(-c2nc(-c3cccc(S(C)(=O)=O)c3)no2)nnn1-c1ccccc1F.Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1F.Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccncc1.

What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?

The InChIKey is UTNWLXAFVQWEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O.C22H14F2N6O.C22H15FN6O.C21H13FN6O.C19H16FN5O4S/c1-31(2)15-16-6-5-7-18(14-16)23-27-24(33-29-23)21-22(17-10-12-26-13-11-17)32(30-28-21)20-9-4-3-8-19(20)25;1-13-6-7-15(12-17(13)24)21-26-22(31-28-21)19-20(14-8-10-25-11-9-14)30(29-27-19)18-5-3-2-4-16(18)23;1-14-6-8-16(9-7-14)21-25-22(30-27-21)19-20(15-10-12-24-13-11-15)29(28-26-19)18-5-3-2-4-17(18)23;22-16-8-4-5-9-17(16)28-19(14-10-12-23-13-11-14)18(25-27-28)21-24-20(26-29-21)15-6-2-1-3-7-15;1-28-11-16-17(22-24-25(16)15-9-4-3-8-14(15)20)19-21-18(23-29-19)12-6-5-7-13(10-12)30(2,26)27/h3-14H,15H2,1-2H3;2-12H,1H3;2-13H,1H3;1-13H;3-10H,11H2,1-2H3.

What are the key properties of 3-(3-fluoro-4-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?

3-(3-fluoro-4-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 2070.07 g/mol, XLogP of 20.23, 24 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-fluoro-4-methylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;1-[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 161189656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).