3-(3-bromophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine

C110H67BrF11N31O6 — CID 158269903

About 3-(3-bromophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine

3-(3-bromophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine (PubChem CID 158269903) has the molecular formula C110H67BrF11N31O6 and a molecular weight of 2207.84 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine.

Molecular Properties

• Compound Name: 3-(3-bromophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
• PubChem CID: 158269903
• Molecular Formula: C110H67BrF11N31O6
• Molecular Weight: 2207.84 g/mol
• Exact Mass: 2205.49
• IUPAC Name: 3-(3-bromophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
• SMILES: Fc1cc(F)cc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3c(F)cccc3F)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(Br)c3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(F)c3F)no2)c1-c1ccncc1
• InChI: InChI=1S/C26H22FN7O2.C21H12BrFN6O.3C21H11F3N6O/c27-21-3-1-2-4-22(21)34-24(19-9-11-28-12-10-19)23(30-32-34)26-29-25(31-36-26)20-7-5-18(6-8-20)17-33-13-15-35-16-14-33;22-15-5-3-4-14(12-15)20-25-21(30-27-20)18-19(13-8-10-24-11-9-13)29(28-26-18)17-7-2-1-6-16(17)23;22-14-5-1-2-7-16(14)30-19(12-8-10-25-11-9-12)18(27-29-30)21-26-20(28-31-21)13-4-3-6-15(23)17(13)24;22-13-4-1-2-7-16(13)30-19(12-8-10-25-11-9-12)18(27-29-30)21-26-20(28-31-21)17-14(23)5-3-6-15(17)24;22-14-9-13(10-15(23)11-14)20-26-21(31-28-20)18-19(12-5-7-25-8-6-12)30(29-27-18)17-4-2-1-3-16(17)24/h1-12H,13-17H2;1-12H;3*1-11H
• InChIKey: GIXBNJCETOEYCD-UHFFFAOYSA-N
• XLogP: 22.36
• TPSA: 425.07 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2207.84
LogP ≤ 5	22.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?

The IUPAC name of 3-(3-bromophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine (CID 158269903) is 3-(3-bromophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine.

What is the SMILES notation for 3-(3-bromophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?

The canonical SMILES for 3-(3-bromophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine is Fc1cc(F)cc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3c(F)cccc3F)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(Br)c3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(F)c3F)no2)c1-c1ccncc1.

What is the InChIKey of 3-(3-bromophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?

The InChIKey is GIXBNJCETOEYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7O2.C21H12BrFN6O.3C21H11F3N6O/c27-21-3-1-2-4-22(21)34-24(19-9-11-28-12-10-19)23(30-32-34)26-29-25(31-36-26)20-7-5-18(6-8-20)17-33-13-15-35-16-14-33;22-15-5-3-4-14(12-15)20-25-21(30-27-20)18-19(13-8-10-24-11-9-13)29(28-26-18)17-7-2-1-6-16(17)23;22-14-5-1-2-7-16(14)30-19(12-8-10-25-11-9-12)18(27-29-30)21-26-20(28-31-21)13-4-3-6-15(23)17(13)24;22-13-4-1-2-7-16(13)30-19(12-8-10-25-11-9-12)18(27-29-30)21-26-20(28-31-21)17-14(23)5-3-6-15(17)24;22-14-9-13(10-15(23)11-14)20-26-21(31-28-20)18-19(12-5-7-25-8-6-12)30(29-27-18)17-4-2-1-3-16(17)24/h1-12H,13-17H2;1-12H;3*1-11H.

What are the key properties of 3-(3-bromophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?

3-(3-bromophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine has a molecular weight of 2207.84 g/mol, XLogP of 22.36, 22 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-bromophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 158269903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).