3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;4-[[3-(2-fluorophenyl)-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]triazol-4-yl]methyl]morpholine

C111H79BrF9N33O7 — CID 161117795

About 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;4-[[3-(2-fluorophenyl)-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]triazol-4-yl]methyl]morpholine

3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;4-[[3-(2-fluorophenyl)-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]triazol-4-yl]methyl]morpholine (PubChem CID 161117795) has the molecular formula C111H79BrF9N33O7 and a molecular weight of 2237.96 g/mol. Its IUPAC name is 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;4-[[3-(2-fluorophenyl)-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]triazol-4-yl]methyl]morpholine.

Molecular Properties

• Compound Name: 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;4-[[3-(2-fluorophenyl)-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]triazol-4-yl]methyl]morpholine
• PubChem CID: 161117795
• Molecular Formula: C111H79BrF9N33O7
• Molecular Weight: 2237.96 g/mol
• Exact Mass: 2235.59
• IUPAC Name: 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;4-[[3-(2-fluorophenyl)-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]triazol-4-yl]methyl]morpholine
• SMILES: Fc1ccc(Br)c(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1CN1CCOCC1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(CN4CCC4)c3)no2)c1-c1ccncc1.Nc1cc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)ccn1.OCCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1
• InChI: InChI=1S/C25H20FN7O.C23H17FN6O2.C22H18F4N6O2.C21H11BrF2N6O.C20H13FN8O/c26-20-7-1-2-8-21(20)33-23(18-9-11-27-12-10-18)22(29-31-33)25-28-24(30-34-25)19-6-3-5-17(15-19)16-32-13-4-14-32;24-18-3-1-2-4-19(18)30-21(16-9-12-25-13-10-16)20(27-29-30)23-26-22(28-32-23)17-7-5-15(6-8-17)11-14-31;23-16-6-1-2-7-17(16)32-18(13-31-8-10-33-11-9-31)19(28-30-32)21-27-20(29-34-21)14-4-3-5-15(12-14)22(24,25)26;22-15-6-5-13(23)11-14(15)20-26-21(31-28-20)18-19(12-7-9-25-10-8-12)30(29-27-18)17-4-2-1-3-16(17)24;21-14-3-1-2-4-15(14)29-18(12-5-8-23-9-6-12)17(26-28-29)20-25-19(27-30-20)13-7-10-24-16(22)11-13/h1-3,5-12,15H,4,13-14,16H2;1-10,12-13,31H,11,14H2;1-7,12H,8-11,13H2;1-11H;1-11H,(H2,22,24)
• InChIKey: UKNWQEOHXPTALO-UHFFFAOYSA-N
• XLogP: 20.34
• TPSA: 474.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2237.96
LogP ≤ 5	20.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;4-[[3-(2-fluorophenyl)-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]triazol-4-yl]methyl]morpholine?

The IUPAC name of 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;4-[[3-(2-fluorophenyl)-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]triazol-4-yl]methyl]morpholine (CID 161117795) is 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;4-[[3-(2-fluorophenyl)-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]triazol-4-yl]methyl]morpholine.

What is the SMILES notation for 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;4-[[3-(2-fluorophenyl)-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]triazol-4-yl]methyl]morpholine?

The canonical SMILES for 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;4-[[3-(2-fluorophenyl)-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]triazol-4-yl]methyl]morpholine is Fc1ccc(Br)c(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1CN1CCOCC1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(CN4CCC4)c3)no2)c1-c1ccncc1.Nc1cc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)ccn1.OCCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.

What is the InChIKey of 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;4-[[3-(2-fluorophenyl)-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]triazol-4-yl]methyl]morpholine?

The InChIKey is UKNWQEOHXPTALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O.C23H17FN6O2.C22H18F4N6O2.C21H11BrF2N6O.C20H13FN8O/c26-20-7-1-2-8-21(20)33-23(18-9-11-27-12-10-18)22(29-31-33)25-28-24(30-34-25)19-6-3-5-17(15-19)16-32-13-4-14-32;24-18-3-1-2-4-19(18)30-21(16-9-12-25-13-10-16)20(27-29-30)23-26-22(28-32-23)17-7-5-15(6-8-17)11-14-31;23-16-6-1-2-7-17(16)32-18(13-31-8-10-33-11-9-31)19(28-30-32)21-27-20(29-34-21)14-4-3-5-15(12-14)22(24,25)26;22-15-6-5-13(23)11-14(15)20-26-21(31-28-20)18-19(12-7-9-25-10-8-12)30(29-27-18)17-4-2-1-3-16(17)24;21-14-3-1-2-4-15(14)29-18(12-5-8-23-9-6-12)17(26-28-29)20-25-19(27-30-20)13-7-10-24-16(22)11-13/h1-3,5-12,15H,4,13-14,16H2;1-10,12-13,31H,11,14H2;1-7,12H,8-11,13H2;1-11H;1-11H,(H2,22,24).

What are the key properties of 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;4-[[3-(2-fluorophenyl)-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]triazol-4-yl]methyl]morpholine?

3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;4-[[3-(2-fluorophenyl)-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]triazol-4-yl]methyl]morpholine has a molecular weight of 2237.96 g/mol, XLogP of 20.34, 25 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;4-[[3-(2-fluorophenyl)-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]triazol-4-yl]methyl]morpholine is sourced from PubChem (CID 161117795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).