3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole

C80H49F11N20O6 — CID 160720627

About 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole

3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole (PubChem CID 160720627) has the molecular formula C80H49F11N20O6 and a molecular weight of 1595.38 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole
• PubChem CID: 160720627
• Molecular Formula: C80H49F11N20O6
• Molecular Weight: 1595.38 g/mol
• Exact Mass: 1594.40
• IUPAC Name: 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole
• SMILES: COCc1c(-c2nc(-c3cc(F)ccc3F)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1F.Fc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccc3)n2)c(F)c1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccc3)n2)c1
• InChI: InChI=1S/2C22H12F3N5O.C18H12F3N5O2.C18H13F2N5O2/c23-14-10-11-16(24)15(12-14)21-26-22(31-28-21)19-20(13-6-2-1-3-7-13)30(29-27-19)18-9-5-4-8-17(18)25;23-14-10-11-15(17(25)12-14)21-26-22(31-28-21)19-20(13-6-2-1-3-7-13)30(29-27-19)18-9-5-4-8-16(18)24;1-27-9-15-16(23-25-26(15)14-5-3-2-4-13(14)21)18-22-17(24-28-18)11-8-10(19)6-7-12(11)20;1-26-10-15-16(22-24-25(15)14-9-5-4-8-13(14)20)18-21-17(23-27-18)11-6-2-3-7-12(11)19/h2*1-12H;2-8H,9H2,1H3;2-9H,10H2,1H3
• InChIKey: RTBAJLPPCZBAEH-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 296.98 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1595.38
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole?

The IUPAC name of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole (CID 160720627) is 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole?

The canonical SMILES for 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole is COCc1c(-c2nc(-c3cc(F)ccc3F)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1F.Fc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccc3)n2)c(F)c1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccc3)n2)c1.

What is the InChIKey of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole?

The InChIKey is RTBAJLPPCZBAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H12F3N5O.C18H12F3N5O2.C18H13F2N5O2/c23-14-10-11-16(24)15(12-14)21-26-22(31-28-21)19-20(13-6-2-1-3-7-13)30(29-27-19)18-9-5-4-8-17(18)25;23-14-10-11-15(17(25)12-14)21-26-22(31-28-21)19-20(13-6-2-1-3-7-13)30(29-27-19)18-9-5-4-8-16(18)24;1-27-9-15-16(23-25-26(15)14-5-3-2-4-13(14)21)18-22-17(24-28-18)11-8-10(19)6-7-12(11)20;1-26-10-15-16(22-24-25(15)14-9-5-4-8-13(14)20)18-21-17(23-27-18)11-6-2-3-7-12(11)19/h2*1-12H;2-8H,9H2,1H3;2-9H,10H2,1H3.

What are the key properties of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole?

3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 1595.38 g/mol, XLogP of 17.09, 18 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 160720627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).