3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole

C104H72F7N29O7 — CID 161297288

About 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole

3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 161297288) has the molecular formula C104H72F7N29O7 and a molecular weight of 1972.90 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
• PubChem CID: 161297288
• Molecular Formula: C104H72F7N29O7
• Molecular Weight: 1972.90 g/mol
• Exact Mass: 1971.61
• IUPAC Name: 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
• SMILES: CC(C)c1c(-c2nc(-c3cc(F)ccc3F)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3ccc4[nH]ccc4c3)no2)nnn1-c1ccccc1F.COc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccccn2)n1.Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccccn1
• InChI: InChI=1S/C22H15FN6O2.C22H15FN6O.C21H13FN6O.C20H15FN6O2.C19H14F3N5O/c1-30-18-12-5-2-8-14(18)21-25-22(31-27-21)19-20(16-10-6-7-13-24-16)29(28-26-19)17-11-4-3-9-15(17)23;1-14-6-8-16(9-7-14)21-25-22(30-27-21)19-20(15-10-12-24-13-11-15)29(28-26-19)18-5-3-2-4-17(18)23;22-15-10-4-5-12-17(15)28-19(16-11-6-7-13-23-16)18(25-27-28)21-24-20(26-29-21)14-8-2-1-3-9-14;1-28-11-17-18(24-26-27(17)16-5-3-2-4-14(16)21)20-23-19(25-29-20)13-6-7-15-12(10-13)8-9-22-15;1-10(2)17-16(24-26-27(17)15-6-4-3-5-14(15)22)19-23-18(25-28-19)12-9-11(20)7-8-13(12)21/h2-13H,1H3;2-13H,1H3;1-13H;2-10,22H,11H2,1H3;3-10H,1-2H3
• InChIKey: VHDIXJYAABUEIS-UHFFFAOYSA-N
• XLogP: 21.15
• TPSA: 421.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1972.90
LogP ≤ 5	21.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?

The IUPAC name of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole (CID 161297288) is 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

What is the SMILES notation for 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?

The canonical SMILES for 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole is CC(C)c1c(-c2nc(-c3cc(F)ccc3F)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3ccc4[nH]ccc4c3)no2)nnn1-c1ccccc1F.COc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccccn2)n1.Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccccn1.

What is the InChIKey of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?

The InChIKey is VHDIXJYAABUEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6O2.C22H15FN6O.C21H13FN6O.C20H15FN6O2.C19H14F3N5O/c1-30-18-12-5-2-8-14(18)21-25-22(31-27-21)19-20(16-10-6-7-13-24-16)29(28-26-19)17-11-4-3-9-15(17)23;1-14-6-8-16(9-7-14)21-25-22(30-27-21)19-20(15-10-12-24-13-11-15)29(28-26-19)18-5-3-2-4-17(18)23;22-15-10-4-5-12-17(15)28-19(16-11-6-7-13-23-16)18(25-27-28)21-24-20(26-29-21)14-8-2-1-3-9-14;1-28-11-17-18(24-26-27(17)16-5-3-2-4-14(16)21)20-23-19(25-29-20)13-6-7-15-12(10-13)8-9-22-15;1-10(2)17-16(24-26-27(17)15-6-4-3-5-14(15)22)19-23-18(25-28-19)12-9-11(20)7-8-13(12)21/h2-13H,1H3;2-13H,1H3;1-13H;2-10,22H,11H2,1H3;3-10H,1-2H3.

What are the key properties of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?

3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 1972.90 g/mol, XLogP of 21.15, 22 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-propan-2-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 161297288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).