5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-pentyl-1,2,4-oxadiazole;4-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

C100H75BrF6N30O7 — CID 158537938

About 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-pentyl-1,2,4-oxadiazole;4-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-pentyl-1,2,4-oxadiazole;4-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 158537938) has the molecular formula C100H75BrF6N30O7 and a molecular weight of 2002.79 g/mol. Its IUPAC name is 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-pentyl-1,2,4-oxadiazole;4-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-pentyl-1,2,4-oxadiazole;4-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
• PubChem CID: 158537938
• Molecular Formula: C100H75BrF6N30O7
• Molecular Weight: 2002.79 g/mol
• Exact Mass: 2000.55
• IUPAC Name: 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-pentyl-1,2,4-oxadiazole;4-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
• SMILES: CCCCCc1noc(-c2nnn(-c3ccccc3Br)c2C)n1.COc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccncc2)n1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3CN3CCOCC3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3cccnc3)no2)c1-c1ccncc1
• InChI: InChI=1S/C22H15FN6O2.C21H17F3N6O2.C21H13FN6O.C20H12FN7O.C16H18BrN5O/c1-30-18-9-5-2-6-15(18)21-25-22(31-27-21)19-20(14-10-12-24-13-11-14)29(28-26-19)17-8-4-3-7-16(17)23;22-13-5-6-15(23)14(11-13)20-25-21(32-27-20)19-18(12-29-7-9-31-10-8-29)30(28-26-19)17-4-2-1-3-16(17)24;22-16-8-4-5-9-17(16)28-19(14-10-12-23-13-11-14)18(25-27-28)21-24-20(26-29-21)15-6-2-1-3-7-15;21-15-5-1-2-6-16(15)28-18(13-7-10-22-11-8-13)17(25-27-28)20-24-19(26-29-20)14-4-3-9-23-12-14;1-3-4-5-10-14-18-16(23-20-14)15-11(2)22(21-19-15)13-9-7-6-8-12(13)17/h2-13H,1H3;1-6,11H,7-10,12H2;1-13H;1-12H;6-9H,3-5,10H2,1-2H3
• InChIKey: HOEAWTLNILDZID-UHFFFAOYSA-N
• XLogP: 19.31
• TPSA: 421.41 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2002.79
LogP ≤ 5	19.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-pentyl-1,2,4-oxadiazole;4-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?

The IUPAC name of 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-pentyl-1,2,4-oxadiazole;4-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 158537938) is 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-pentyl-1,2,4-oxadiazole;4-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-pentyl-1,2,4-oxadiazole;4-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-pentyl-1,2,4-oxadiazole;4-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is CCCCCc1noc(-c2nnn(-c3ccccc3Br)c2C)n1.COc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccncc2)n1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3CN3CCOCC3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3cccnc3)no2)c1-c1ccncc1.

What is the InChIKey of 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-pentyl-1,2,4-oxadiazole;4-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?

The InChIKey is HOEAWTLNILDZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6O2.C21H17F3N6O2.C21H13FN6O.C20H12FN7O.C16H18BrN5O/c1-30-18-9-5-2-6-15(18)21-25-22(31-27-21)19-20(14-10-12-24-13-11-14)29(28-26-19)17-8-4-3-7-16(17)23;22-13-5-6-15(23)14(11-13)20-25-21(32-27-20)19-18(12-29-7-9-31-10-8-29)30(28-26-19)17-4-2-1-3-16(17)24;22-16-8-4-5-9-17(16)28-19(14-10-12-23-13-11-14)18(25-27-28)21-24-20(26-29-21)15-6-2-1-3-7-15;21-15-5-1-2-6-16(15)28-18(13-7-10-22-11-8-13)17(25-27-28)20-24-19(26-29-20)14-4-3-9-23-12-14;1-3-4-5-10-14-18-16(23-20-14)15-11(2)22(21-19-15)13-9-7-6-8-12(13)17/h2-13H,1H3;1-6,11H,7-10,12H2;1-13H;1-12H;6-9H,3-5,10H2,1-2H3.

What are the key properties of 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-pentyl-1,2,4-oxadiazole;4-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?

5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-pentyl-1,2,4-oxadiazole;4-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 2002.79 g/mol, XLogP of 19.31, 24 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2-bromophenyl)-5-methyltriazol-4-yl]-3-pentyl-1,2,4-oxadiazole;4-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158537938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).