N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;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

C127H110F5N37O12S — CID 161023294

About N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;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

N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;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 161023294) has the molecular formula C127H110F5N37O12S and a molecular weight of 2473.58 g/mol. Its IUPAC name is N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;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: N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;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: 161023294
• Molecular Formula: C127H110F5N37O12S
• Molecular Weight: 2473.58 g/mol
• Exact Mass: 2471.88
• IUPAC Name: N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;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.CN(CCO)Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.COCCNCc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.CS(=O)(=O)NC1CCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.OCC1CN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CCO1
• InChI: InChI=1S/C28H27FN8O3S.C27H24FN7O3.2C25H22FN7O2.C22H15FN8O2/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;28-22-3-1-2-4-23(22)35-25(19-9-11-29-12-10-19)24(31-33-35)27-30-26(32-38-27)20-7-5-18(6-8-20)15-34-13-14-37-21(16-34)17-36;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;1-32(14-15-34)16-17-6-8-19(9-7-17)24-28-25(35-30-24)22-23(18-10-12-27-13-11-18)33(31-29-22)21-5-3-2-4-20(21)26;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/h2-11,14-15,22,34H,12-13,16-18H2,1H3;1-12,21,36H,13-17H2;2-12,15,28H,13-14,16H2,1H3;2-13,34H,14-16H2,1H3;2-12H,1H3,(H,25,26,32)
• InChIKey: TYQRWNALWVRMQM-UHFFFAOYSA-N
• XLogP: 18.15
• TPSA: 581.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 47
• Rotatable Bonds: 37
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2473.58
LogP ≤ 5	18.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;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 N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;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 161023294) is N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;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 N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;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 N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;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.CN(CCO)Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.COCCNCc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.CS(=O)(=O)NC1CCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1.OCC1CN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CCO1.

What is the InChIKey of N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;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 TYQRWNALWVRMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN8O3S.C27H24FN7O3.2C25H22FN7O2.C22H15FN8O2/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;28-22-3-1-2-4-23(22)35-25(19-9-11-29-12-10-19)24(31-33-35)27-30-26(32-38-27)20-7-5-18(6-8-20)15-34-13-14-37-21(16-34)17-36;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;1-32(14-15-34)16-17-6-8-19(9-7-17)24-28-25(35-30-24)22-23(18-10-12-27-13-11-18)33(31-29-22)21-5-3-2-4-20(21)26;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/h2-11,14-15,22,34H,12-13,16-18H2,1H3;1-12,21,36H,13-17H2;2-12,15,28H,13-14,16H2,1H3;2-13,34H,14-16H2,1H3;2-12H,1H3,(H,25,26,32).

What are the key properties of N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;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?

N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;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 2473.58 g/mol, XLogP of 18.15, 37 rotatable bonds, 5 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxyethanamine;2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]ethanol;[4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholin-2-yl]methanol;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 161023294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).