5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;tert-butyl N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzamide

C110H84F7N31O11S — CID 159702777

About 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;tert-butyl N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzamide

5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;tert-butyl N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 159702777) has the molecular formula C110H84F7N31O11S and a molecular weight of 2181.14 g/mol. Its IUPAC name is 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;tert-butyl N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;tert-butyl N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzamide
• PubChem CID: 159702777
• Molecular Formula: C110H84F7N31O11S
• Molecular Weight: 2181.14 g/mol
• Exact Mass: 2179.66
• IUPAC Name: 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;tert-butyl N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzamide
• SMILES: CC(C)(C)OC(=O)NCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.COCc1c(-c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)nnn1-c1ccccc1F.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3C3CCCC3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3cccnc3)no2)c1Cc1ccccc1.NC(=O)c1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1
• InChI: InChI=1S/C27H24FN7O3.C22H14FN7O2.C22H15FN6O.C21H16F3N5O.C18H15FN6O4S/c1-27(2,3)37-26(36)30-16-17-8-10-19(11-9-17)24-31-25(38-33-24)22-23(18-12-14-29-15-13-18)35(34-32-22)21-7-5-4-6-20(21)28;23-16-3-1-2-4-17(16)30-19(13-9-11-25-12-10-13)18(27-29-30)22-26-21(28-32-22)15-7-5-14(6-8-15)20(24)31;23-17-10-4-5-11-18(17)29-19(13-15-7-2-1-3-8-15)20(26-28-29)22-25-21(27-30-22)16-9-6-12-24-14-16;22-13-9-10-15(23)14(11-13)20-25-21(30-27-20)18-19(12-5-1-2-6-12)29(28-26-18)17-8-4-3-7-16(17)24;1-28-10-15-16(22-24-25(15)14-5-3-2-4-13(14)19)18-21-17(23-29-18)11-6-8-12(9-7-11)30(20,26)27/h4-15H,16H2,1-3H3,(H,30,36);1-12H,(H2,24,31);1-12,14H,13H2;3-4,7-12H,1-2,5-6H2;2-9H,10H2,1H3,(H2,20,26,27)
• InChIKey: MXVJWEFLJWZEIA-UHFFFAOYSA-N
• XLogP: 19.58
• TPSA: 537.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2181.14
LogP ≤ 5	19.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;tert-butyl N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzamide?

The IUPAC name of 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;tert-butyl N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzamide (CID 159702777) is 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;tert-butyl N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzamide.

What is the SMILES notation for 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;tert-butyl N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzamide?

The canonical SMILES for 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;tert-butyl N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzamide is CC(C)(C)OC(=O)NCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.COCc1c(-c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)nnn1-c1ccccc1F.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3C3CCCC3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3cccnc3)no2)c1Cc1ccccc1.NC(=O)c1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.

What is the InChIKey of 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;tert-butyl N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzamide?

The InChIKey is MXVJWEFLJWZEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN7O3.C22H14FN7O2.C22H15FN6O.C21H16F3N5O.C18H15FN6O4S/c1-27(2,3)37-26(36)30-16-17-8-10-19(11-9-17)24-31-25(38-33-24)22-23(18-12-14-29-15-13-18)35(34-32-22)21-7-5-4-6-20(21)28;23-16-3-1-2-4-17(16)30-19(13-9-11-25-12-10-13)18(27-29-30)22-26-21(28-32-22)15-7-5-14(6-8-15)20(24)31;23-17-10-4-5-11-18(17)29-19(13-15-7-2-1-3-8-15)20(26-28-29)22-25-21(27-30-22)16-9-6-12-24-14-16;22-13-9-10-15(23)14(11-13)20-25-21(30-27-20)18-19(12-5-1-2-6-12)29(28-26-18)17-8-4-3-7-16(17)24;1-28-10-15-16(22-24-25(15)14-5-3-2-4-13(14)19)18-21-17(23-29-18)11-6-8-12(9-7-11)30(20,26)27/h4-15H,16H2,1-3H3,(H,30,36);1-12H,(H2,24,31);1-12,14H,13H2;3-4,7-12H,1-2,5-6H2;2-9H,10H2,1H3,(H2,20,26,27).

What are the key properties of 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;tert-butyl N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzamide?

5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;tert-butyl N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 2181.14 g/mol, XLogP of 19.58, 26 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;tert-butyl N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamate;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;4-[5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide;4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 159702777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).