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

C72H51F9N20O5 — CID 161203598

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

3-(2,5-difluorophenyl)-5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 161203598) has the molecular formula C72H51F9N20O5 and a molecular weight of 1447.32 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(2,5-difluorophenyl)-5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole
• PubChem CID: 161203598
• Molecular Formula: C72H51F9N20O5
• Molecular Weight: 1447.32 g/mol
• Exact Mass: 1446.42
• IUPAC Name: 3-(2,5-difluorophenyl)-5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole
• SMILES: CCc1c(-c2nc(-c3cc(F)ccc3F)no2)nnn1-c1ccccc1F.CCc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccccc1F.CCc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3ccc(F)cc3F)no2)nnn1-c1ccccc1F
• InChI: InChI=1S/C18H12F3N5O2.C18H12F3N5O.C18H13F2N5O.C18H14FN5O/c1-27-9-15-16(23-25-26(15)14-5-3-2-4-12(14)20)18-22-17(24-28-18)11-7-6-10(19)8-13(11)21;1-2-14-16(23-25-26(14)15-6-4-3-5-13(15)21)18-22-17(24-27-18)11-9-10(19)7-8-12(11)20;1-2-14-16(22-24-25(14)15-10-6-5-9-13(15)20)18-21-17(23-26-18)11-7-3-4-8-12(11)19;1-2-14-16(21-23-24(14)15-11-7-6-10-13(15)19)18-20-17(22-25-18)12-8-4-3-5-9-12/h2-8H,9H2,1H3;3-9H,2H2,1H3;3-10H,2H2,1H3;3-11H,2H2,1H3
• InChIKey: UVHQKPZZOLDGOD-UHFFFAOYSA-N
• XLogP: 15.02
• TPSA: 287.75 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1447.32
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 3-(2,5-difluorophenyl)-5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole (CID 161203598) is 3-(2,5-difluorophenyl)-5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

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

The canonical SMILES for 3-(2,5-difluorophenyl)-5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole is CCc1c(-c2nc(-c3cc(F)ccc3F)no2)nnn1-c1ccccc1F.CCc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccccc1F.CCc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3ccc(F)cc3F)no2)nnn1-c1ccccc1F.

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

The InChIKey is UVHQKPZZOLDGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O2.C18H12F3N5O.C18H13F2N5O.C18H14FN5O/c1-27-9-15-16(23-25-26(15)14-5-3-2-4-12(14)20)18-22-17(24-28-18)11-7-6-10(19)8-13(11)21;1-2-14-16(23-25-26(14)15-6-4-3-5-13(15)21)18-22-17(24-27-18)11-9-10(19)7-8-12(11)20;1-2-14-16(22-24-25(14)15-10-6-5-9-13(15)20)18-21-17(23-26-18)11-7-3-4-8-12(11)19;1-2-14-16(21-23-24(14)15-11-7-6-10-13(15)19)18-20-17(22-25-18)12-8-4-3-5-9-12/h2-8H,9H2,1H3;3-9H,2H2,1H3;3-10H,2H2,1H3;3-11H,2H2,1H3.

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

3-(2,5-difluorophenyl)-5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 1447.32 g/mol, XLogP of 15.02, 17 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-difluorophenyl)-5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole;3-(2,4-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 161203598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).