3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;N-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide;N-[5-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide

C121H95BrF6N36O9S — CID 161270542

About 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;N-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide;N-[5-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide

3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;N-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide;N-[5-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide (PubChem CID 161270542) has the molecular formula C121H95BrF6N36O9S and a molecular weight of 2423.29 g/mol. Its IUPAC name is 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;N-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide;N-[5-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;N-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide;N-[5-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide
• PubChem CID: 161270542
• Molecular Formula: C121H95BrF6N36O9S
• Molecular Weight: 2423.29 g/mol
• Exact Mass: 2420.69
• IUPAC Name: 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;N-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide;N-[5-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cn1.COCCNCc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.CS(=O)(=O)NC1CCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.Fc1ccc(Br)c(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(CN4CCC4)c3)no2)c1-c1ccncc1
• InChI: InChI=1S/C28H27FN8O3S.C25H22FN7O2.C25H20FN7O.C22H15FN8O2.C21H11BrF2N6O/c1-41(38,39)34-22-12-16-36(17-13-22)18-19-6-8-21(9-7-19)27-31-28(40-33-27)25-26(20-10-14-30-15-11-20)37(35-32-25)24-5-3-2-4-23(24)29;1-34-14-13-28-16-17-5-4-6-19(15-17)24-29-25(35-31-24)22-23(18-9-11-27-12-10-18)33(32-30-22)21-8-3-2-7-20(21)26;26-20-7-1-2-8-21(20)33-23(18-9-11-27-12-10-18)22(29-31-33)25-28-24(30-34-25)19-6-3-5-17(15-19)16-32-13-4-14-32;1-13(32)26-18-7-6-15(12-25-18)21-27-22(33-29-21)19-20(14-8-10-24-11-9-14)31(30-28-19)17-5-3-2-4-16(17)23;22-15-6-5-13(23)11-14(15)20-26-21(31-28-20)18-19(12-7-9-25-10-8-12)30(29-27-18)17-4-2-1-3-16(17)24/h2-11,14-15,22,34H,12-13,16-18H2,1H3;2-12,15,28H,13-14,16H2,1H3;1-3,5-12,15H,4,13-14,16H2;2-12H,1H3,(H,25,26,32);1-11H
• InChIKey: VDTFDTTXMLJXBG-UHFFFAOYSA-N
• XLogP: 20.64
• TPSA: 528.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 43
• Rotatable Bonds: 32
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2423.29
LogP ≤ 5	20.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;N-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide;N-[5-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide?

The IUPAC name of 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;N-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide;N-[5-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide (CID 161270542) is 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;N-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide;N-[5-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;N-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide;N-[5-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide?

The canonical SMILES for 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;N-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide;N-[5-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cn1.COCCNCc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.CS(=O)(=O)NC1CCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.Fc1ccc(Br)c(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3cccc(CN4CCC4)c3)no2)c1-c1ccncc1.

What is the InChIKey of 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;N-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide;N-[5-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide?

The InChIKey is VDTFDTTXMLJXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN8O3S.C25H22FN7O2.C25H20FN7O.C22H15FN8O2.C21H11BrF2N6O/c1-41(38,39)34-22-12-16-36(17-13-22)18-19-6-8-21(9-7-19)27-31-28(40-33-27)25-26(20-10-14-30-15-11-20)37(35-32-25)24-5-3-2-4-23(24)29;1-34-14-13-28-16-17-5-4-6-19(15-17)24-29-25(35-31-24)22-23(18-9-11-27-12-10-18)33(32-30-22)21-8-3-2-7-20(21)26;26-20-7-1-2-8-21(20)33-23(18-9-11-27-12-10-18)22(29-31-33)25-28-24(30-34-25)19-6-3-5-17(15-19)16-32-13-4-14-32;1-13(32)26-18-7-6-15(12-25-18)21-27-22(33-29-21)19-20(14-8-10-24-11-9-14)31(30-28-19)17-5-3-2-4-16(17)23;22-15-6-5-13(23)11-14(15)20-26-21(31-28-20)18-19(12-7-9-25-10-8-12)30(29-27-18)17-4-2-1-3-16(17)24/h2-11,14-15,22,34H,12-13,16-18H2,1H3;2-12,15,28H,13-14,16H2,1H3;1-3,5-12,15H,4,13-14,16H2;2-12H,1H3,(H,25,26,32);1-11H.

What are the key properties of 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;N-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide;N-[5-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide?

3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;N-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide;N-[5-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide has a molecular weight of 2423.29 g/mol, XLogP of 20.64, 32 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(azetidin-1-ylmethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2-bromo-5-fluorophenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;N-[1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]methanesulfonamide;N-[5-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 161270542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).