5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole

C72H52BrF7N20O5 — CID 160817942

About 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole

5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 160817942) has the molecular formula C72H52BrF7N20O5 and a molecular weight of 1490.23 g/mol. Its IUPAC name is 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
• PubChem CID: 160817942
• Molecular Formula: C72H52BrF7N20O5
• Molecular Weight: 1490.23 g/mol
• Exact Mass: 1488.35
• IUPAC Name: 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
• SMILES: CCc1c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)nnn1-c1ccccc1F.CCc1c(-c2nc(-c3ccccc3OC)no2)nnn1-c1ccccc1F.Cc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccccc1F.Cc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1Br
• InChI: InChI=1S/C19H13F4N5O.C19H16FN5O2.C17H11BrFN5O.C17H12FN5O/c1-2-14-16(25-27-28(14)15-9-4-3-8-13(15)20)18-24-17(26-29-18)11-6-5-7-12(10-11)19(21,22)23;1-3-14-17(22-24-25(14)15-10-6-5-9-13(15)20)19-21-18(23-27-19)12-8-4-7-11-16(12)26-2;1-10-15(21-23-24(10)14-9-5-3-7-12(14)18)17-20-16(22-25-17)11-6-2-4-8-13(11)19;1-11-15(20-22-23(11)14-10-6-5-9-13(14)18)17-19-16(21-24-17)12-7-3-2-4-8-12/h3-10H,2H2,1H3;4-11H,3H2,1-2H3;2-9H,1H3;2-10H,1H3
• InChIKey: SFDPREMETJMQHV-UHFFFAOYSA-N
• XLogP: 16.03
• TPSA: 287.75 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1490.23
LogP ≤ 5	16.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole (CID 160817942) is 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

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

The canonical SMILES for 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole is CCc1c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)nnn1-c1ccccc1F.CCc1c(-c2nc(-c3ccccc3OC)no2)nnn1-c1ccccc1F.Cc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccccc1F.Cc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1Br.

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

The InChIKey is SFDPREMETJMQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N5O.C19H16FN5O2.C17H11BrFN5O.C17H12FN5O/c1-2-14-16(25-27-28(14)15-9-4-3-8-13(15)20)18-24-17(26-29-18)11-6-5-7-12(10-11)19(21,22)23;1-3-14-17(22-24-25(14)15-10-6-5-9-13(15)20)19-21-18(23-27-19)12-8-4-7-11-16(12)26-2;1-10-15(21-23-24(10)14-9-5-3-7-12(14)18)17-20-16(22-25-17)11-6-2-4-8-13(11)19;1-11-15(20-22-23(11)14-10-6-5-9-13(14)18)17-19-16(21-24-17)12-7-3-2-4-8-12/h3-10H,2H2,1H3;4-11H,3H2,1-2H3;2-9H,1H3;2-10H,1H3.

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

5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 1490.23 g/mol, XLogP of 16.03, 15 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 160817942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).