3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-3-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxyphenyl]propanoic acid

C89H54F9N23O7 — CID 158465103

About 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-3-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxyphenyl]propanoic acid

3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-3-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxyphenyl]propanoic acid (PubChem CID 158465103) has the molecular formula C89H54F9N23O7 and a molecular weight of 1728.55 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-3-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxyphenyl]propanoic acid.

Molecular Properties

• Compound Name: 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-3-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxyphenyl]propanoic acid
• PubChem CID: 158465103
• Molecular Formula: C89H54F9N23O7
• Molecular Weight: 1728.55 g/mol
• Exact Mass: 1727.44
• IUPAC Name: 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-3-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxyphenyl]propanoic acid
• SMILES: COc1cc(CCC(=O)O)ccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccccc2)n1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccn3)n2)c1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3-c3cccnc3)n2)c1.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccccn2)n1
• InChI: InChI=1S/C26H20FN5O4.2C21H11F3N6O.C21H12F2N6O/c1-35-21-15-16(12-14-22(33)34)11-13-18(21)25-28-26(36-30-25)23-24(17-7-3-2-4-8-17)32(31-29-23)20-10-6-5-9-19(20)27;22-12-8-9-14(23)13(11-12)20-26-21(31-28-20)18-19(16-6-3-4-10-25-16)30(29-27-18)17-7-2-1-5-15(17)24;22-13-7-8-15(23)14(10-13)20-26-21(31-28-20)18-19(12-4-3-9-25-11-12)30(29-27-18)17-6-2-1-5-16(17)24;22-14-8-2-1-7-13(14)20-25-21(30-27-20)18-19(16-10-5-6-12-24-16)29(28-26-18)17-11-4-3-9-15(17)23/h2-11,13,15H,12,14H2,1H3,(H,33,34);2*1-11H;1-12H
• InChIKey: HFQSJLCLNXCLBF-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 363.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1728.55
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-3-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxyphenyl]propanoic acid?

The IUPAC name of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-3-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxyphenyl]propanoic acid (CID 158465103) is 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-3-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxyphenyl]propanoic acid.

What is the SMILES notation for 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-3-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxyphenyl]propanoic acid?

The canonical SMILES for 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-3-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxyphenyl]propanoic acid is COc1cc(CCC(=O)O)ccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccccc2)n1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccn3)n2)c1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3-c3cccnc3)n2)c1.Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccccn2)n1.

What is the InChIKey of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-3-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxyphenyl]propanoic acid?

The InChIKey is HFQSJLCLNXCLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O4.2C21H11F3N6O.C21H12F2N6O/c1-35-21-15-16(12-14-22(33)34)11-13-18(21)25-28-26(36-30-25)23-24(17-7-3-2-4-8-17)32(31-29-23)20-10-6-5-9-19(20)27;22-12-8-9-14(23)13(11-12)20-26-21(31-28-20)18-19(16-6-3-4-10-25-16)30(29-27-18)17-7-2-1-5-15(17)24;22-13-7-8-15(23)14(10-13)20-26-21(31-28-20)18-19(12-4-3-9-25-11-12)30(29-27-18)17-6-2-1-5-16(17)24;22-14-8-2-1-7-13(14)20-25-21(30-27-20)18-19(16-10-5-6-12-24-16)29(28-26-18)17-11-4-3-9-15(17)23/h2-11,13,15H,12,14H2,1H3,(H,33,34);2*1-11H;1-12H.

What are the key properties of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-3-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxyphenyl]propanoic acid?

3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-3-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxyphenyl]propanoic acid has a molecular weight of 1728.55 g/mol, XLogP of 18.07, 20 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-3-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-[5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methoxyphenyl]propanoic acid is sourced from PubChem (CID 158465103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).