5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole

C68H41BrF10N20O4 — CID 161472284

About 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole

5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole (PubChem CID 161472284) has the molecular formula C68H41BrF10N20O4 and a molecular weight of 1472.10 g/mol. Its IUPAC name is 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole
• PubChem CID: 161472284
• Molecular Formula: C68H41BrF10N20O4
• Molecular Weight: 1472.10 g/mol
• Exact Mass: 1470.26
• IUPAC Name: 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole
• SMILES: Cc1c(-c2nc(-c3c(F)cccc3F)no2)nnn1-c1ccccc1F.Cc1c(-c2nc(-c3cc(F)ccc3F)no2)nnn1-c1ccccc1Br.Cc1c(-c2nc(-c3cc(F)ccc3F)no2)nnn1-c1ccccc1F.Cc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1F
• InChI: InChI=1S/C17H10BrF2N5O.2C17H10F3N5O.C17H11F2N5O/c1-9-15(22-24-25(9)14-5-3-2-4-12(14)18)17-21-16(23-26-17)11-8-10(19)6-7-13(11)20;1-9-15(22-24-25(9)13-8-3-2-5-10(13)18)17-21-16(23-26-17)14-11(19)6-4-7-12(14)20;1-9-15(22-24-25(9)14-5-3-2-4-13(14)20)17-21-16(23-26-17)11-8-10(18)6-7-12(11)19;1-10-15(21-23-24(10)14-9-5-4-8-13(14)19)17-20-16(22-25-17)11-6-2-3-7-12(11)18/h3*2-8H,1H3;2-9H,1H3
• InChIKey: WDGDSCKLDPLGHZ-UHFFFAOYSA-N
• XLogP: 15.32
• TPSA: 278.52 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1472.10
LogP ≤ 5	15.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole?

The IUPAC name of 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole (CID 161472284) is 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole?

The canonical SMILES for 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole is Cc1c(-c2nc(-c3c(F)cccc3F)no2)nnn1-c1ccccc1F.Cc1c(-c2nc(-c3cc(F)ccc3F)no2)nnn1-c1ccccc1Br.Cc1c(-c2nc(-c3cc(F)ccc3F)no2)nnn1-c1ccccc1F.Cc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1F.

What is the InChIKey of 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole?

The InChIKey is WDGDSCKLDPLGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrF2N5O.2C17H10F3N5O.C17H11F2N5O/c1-9-15(22-24-25(9)14-5-3-2-4-12(14)18)17-21-16(23-26-17)11-8-10(19)6-7-13(11)20;1-9-15(22-24-25(9)13-8-3-2-5-10(13)18)17-21-16(23-26-17)14-11(19)6-4-7-12(14)20;1-9-15(22-24-25(9)14-5-3-2-4-13(14)20)17-21-16(23-26-17)11-8-10(18)6-7-12(11)19;1-10-15(21-23-24(10)14-9-5-4-8-13(14)19)17-20-16(22-25-17)11-6-2-3-7-12(11)18/h3*2-8H,1H3;2-9H,1H3.

What are the key properties of 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole?

5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 1472.10 g/mol, XLogP of 15.32, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2,6-difluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 161472284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).