3-(3H-benzimidazol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;1-[(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-yl]ethanone

C124H93F5N36O8 — CID 160537401

About 3-(3H-benzimidazol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;1-[(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-yl]ethanone

3-(3H-benzimidazol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;1-[(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-yl]ethanone (PubChem CID 160537401) has the molecular formula C124H93F5N36O8 and a molecular weight of 2310.34 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;1-[(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-yl]ethanone.

Molecular Properties

• Compound Name: 3-(3H-benzimidazol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;1-[(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-yl]ethanone
• PubChem CID: 160537401
• Molecular Formula: C124H93F5N36O8
• Molecular Weight: 2310.34 g/mol
• Exact Mass: 2308.79
• IUPAC Name: 3-(3H-benzimidazol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;1-[(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-yl]ethanone
• SMILES: CC(=O)[C@@H]1CCCN1Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc4c(c3)CCN4)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc4c(c3)NCC4)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc4nc[nH]c4c3)no2)c1-c1ccncc1.O=C(O)C1CCCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)C1
• InChI: InChI=1S/C28H24FN7O3.C28H24FN7O2.2C23H16FN7O.C22H13FN8O/c29-22-5-1-2-6-23(22)36-25(19-11-13-30-14-12-19)24(32-34-36)27-31-26(33-39-27)20-9-7-18(8-10-20)16-35-15-3-4-21(17-35)28(37)38;1-18(37)23-7-4-16-35(23)17-19-8-10-21(11-9-19)27-31-28(38-33-27)25-26(20-12-14-30-15-13-20)36(34-32-25)24-6-3-2-5-22(24)29;24-17-3-1-2-4-19(17)31-21(14-7-10-25-11-8-14)20(28-30-31)23-27-22(29-32-23)16-5-6-18-15(13-16)9-12-26-18;24-17-3-1-2-4-19(17)31-21(15-7-10-25-11-8-15)20(28-30-31)23-27-22(29-32-23)16-6-5-14-9-12-26-18(14)13-16;23-15-3-1-2-4-18(15)31-20(13-7-9-24-10-8-13)19(28-30-31)22-27-21(29-32-22)14-5-6-16-17(11-14)26-12-25-16/h1-2,5-14,21H,3-4,15-17H2,(H,37,38);2-3,5-6,8-15,23H,4,7,16-17H2,1H3;2*1-8,10-11,13,26H,9,12H2;1-12H,(H,25,26)/t;23-;;;/m.0.../s1
• InChIKey: QWIJMLCFFNVSKH-XCPYPSAWSA-N
• XLogP: 21.59
• TPSA: 526.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 26
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2310.34
LogP ≤ 5	21.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;1-[(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-yl]ethanone?

The IUPAC name of 3-(3H-benzimidazol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;1-[(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-yl]ethanone (CID 160537401) is 3-(3H-benzimidazol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;1-[(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-yl]ethanone.

What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;1-[(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-yl]ethanone?

The canonical SMILES for 3-(3H-benzimidazol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;1-[(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-yl]ethanone is CC(=O)[C@@H]1CCCN1Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc4c(c3)CCN4)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc4c(c3)NCC4)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc4nc[nH]c4c3)no2)c1-c1ccncc1.O=C(O)C1CCCN(Cc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)C1.

What is the InChIKey of 3-(3H-benzimidazol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;1-[(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-yl]ethanone?

The InChIKey is QWIJMLCFFNVSKH-XCPYPSAWSA-N. The full InChI is InChI=1S/C28H24FN7O3.C28H24FN7O2.2C23H16FN7O.C22H13FN8O/c29-22-5-1-2-6-23(22)36-25(19-11-13-30-14-12-19)24(32-34-36)27-31-26(33-39-27)20-9-7-18(8-10-20)16-35-15-3-4-21(17-35)28(37)38;1-18(37)23-7-4-16-35(23)17-19-8-10-21(11-9-19)27-31-28(38-33-27)25-26(20-12-14-30-15-13-20)36(34-32-25)24-6-3-2-5-22(24)29;24-17-3-1-2-4-19(17)31-21(14-7-10-25-11-8-14)20(28-30-31)23-27-22(29-32-23)16-5-6-18-15(13-16)9-12-26-18;24-17-3-1-2-4-19(17)31-21(15-7-10-25-11-8-15)20(28-30-31)23-27-22(29-32-23)16-6-5-14-9-12-26-18(14)13-16;23-15-3-1-2-4-18(15)31-20(13-7-9-24-10-8-13)19(28-30-31)22-27-21(29-32-22)14-5-6-16-17(11-14)26-12-25-16/h1-2,5-14,21H,3-4,15-17H2,(H,37,38);2-3,5-6,8-15,23H,4,7,16-17H2,1H3;2*1-8,10-11,13,26H,9,12H2;1-12H,(H,25,26)/t;23-;;;/m.0.../s1.

What are the key properties of 3-(3H-benzimidazol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;1-[(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-yl]ethanone?

3-(3H-benzimidazol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;1-[(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-yl]ethanone has a molecular weight of 2310.34 g/mol, XLogP of 21.59, 26 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3H-benzimidazol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3-carboxylic acid;1-[(2S)-1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 160537401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).