3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yl-4,5-dihydrotriazol-4-yl]-3-(1H-inden-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

C98H71F7N30O8 — CID 158291734

About 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yl-4,5-dihydrotriazol-4-yl]-3-(1H-inden-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yl-4,5-dihydrotriazol-4-yl]-3-(1H-inden-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 158291734) has the molecular formula C98H71F7N30O8 and a molecular weight of 1929.83 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yl-4,5-dihydrotriazol-4-yl]-3-(1H-inden-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yl-4,5-dihydrotriazol-4-yl]-3-(1H-inden-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
• PubChem CID: 158291734
• Molecular Formula: C98H71F7N30O8
• Molecular Weight: 1929.83 g/mol
• Exact Mass: 1928.60
• IUPAC Name: 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yl-4,5-dihydrotriazol-4-yl]-3-(1H-inden-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
• SMILES: COCCc1c(-c2nc(-c3cc(F)ccc3F)no2)nnn1-c1ccccc1F.COCCc1c(-c2nc(-c3cccnc3)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3cccnc3)no2)nnn1-c1ccccc1F.Fc1ccccc1-n1nnc(-c2nc(-c3ccccn3)no2)c1-c1ccncc1.Fc1ccccc1N1N=NC(c2nc(-c3ccc4c(c3)C=CC4)no2)C1c1ccncc1
• InChI: InChI=1S/C24H17FN6O.C20H12FN7O.C19H14F3N5O2.C18H15FN6O2.C17H13FN6O2/c25-19-6-1-2-7-20(19)31-22(16-10-12-26-13-11-16)21(28-30-31)24-27-23(29-32-24)18-9-8-15-4-3-5-17(15)14-18;21-14-5-1-2-7-16(14)28-18(13-8-11-22-12-9-13)17(25-27-28)20-24-19(26-29-20)15-6-3-4-10-23-15;1-28-9-8-16-17(24-26-27(16)15-5-3-2-4-14(15)22)19-23-18(25-29-19)12-10-11(20)6-7-13(12)21;1-26-10-8-15-16(22-24-25(15)14-7-3-2-6-13(14)19)18-21-17(23-27-18)12-5-4-9-20-11-12;1-25-10-14-15(21-23-24(14)13-7-3-2-6-12(13)18)17-20-16(22-26-17)11-5-4-8-19-9-11/h1-3,5-14,21-22H,4H2;1-12H;2-7,10H,8-9H2,1H3;2-7,9,11H,8,10H2,1H3;2-9H,10H2,1H3
• InChIKey: GLLAAIGAAGLFBU-UHFFFAOYSA-N
• XLogP: 18.05
• TPSA: 437.54 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1929.83
LogP ≤ 5	18.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yl-4,5-dihydrotriazol-4-yl]-3-(1H-inden-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?

The IUPAC name of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yl-4,5-dihydrotriazol-4-yl]-3-(1H-inden-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 158291734) is 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yl-4,5-dihydrotriazol-4-yl]-3-(1H-inden-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.

What is the SMILES notation for 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yl-4,5-dihydrotriazol-4-yl]-3-(1H-inden-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?

The canonical SMILES for 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yl-4,5-dihydrotriazol-4-yl]-3-(1H-inden-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is COCCc1c(-c2nc(-c3cc(F)ccc3F)no2)nnn1-c1ccccc1F.COCCc1c(-c2nc(-c3cccnc3)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3cccnc3)no2)nnn1-c1ccccc1F.Fc1ccccc1-n1nnc(-c2nc(-c3ccccn3)no2)c1-c1ccncc1.Fc1ccccc1N1N=NC(c2nc(-c3ccc4c(c3)C=CC4)no2)C1c1ccncc1.

What is the InChIKey of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yl-4,5-dihydrotriazol-4-yl]-3-(1H-inden-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?

The InChIKey is GLLAAIGAAGLFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6O.C20H12FN7O.C19H14F3N5O2.C18H15FN6O2.C17H13FN6O2/c25-19-6-1-2-7-20(19)31-22(16-10-12-26-13-11-16)21(28-30-31)24-27-23(29-32-24)18-9-8-15-4-3-5-17(15)14-18;21-14-5-1-2-7-16(14)28-18(13-8-11-22-12-9-13)17(25-27-28)20-24-19(26-29-20)15-6-3-4-10-23-15;1-28-9-8-16-17(24-26-27(16)15-5-3-2-4-14(15)22)19-23-18(25-29-19)12-10-11(20)6-7-13(12)21;1-26-10-8-15-16(22-24-25(15)14-7-3-2-6-13(14)19)18-21-17(23-27-18)12-5-4-9-20-11-12;1-25-10-14-15(21-23-24(14)13-7-3-2-6-12(13)18)17-20-16(22-26-17)11-5-4-8-19-9-11/h1-3,5-14,21-22H,4H2;1-12H;2-7,10H,8-9H2,1H3;2-7,9,11H,8,10H2,1H3;2-9H,10H2,1H3.

What are the key properties of 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yl-4,5-dihydrotriazol-4-yl]-3-(1H-inden-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?

3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yl-4,5-dihydrotriazol-4-yl]-3-(1H-inden-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 1929.83 g/mol, XLogP of 18.05, 25 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yl-4,5-dihydrotriazol-4-yl]-3-(1H-inden-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158291734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).