5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

C100H74F9N27O10S — CID 159773262

About 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 159773262) has the molecular formula C100H74F9N27O10S and a molecular weight of 2016.92 g/mol. Its IUPAC name is 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
• PubChem CID: 159773262
• Molecular Formula: C100H74F9N27O10S
• Molecular Weight: 2016.92 g/mol
• Exact Mass: 2015.57
• IUPAC Name: 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
• SMILES: COCc1c(-c2nc(-c3cccc(S(C)(=O)=O)c3)no2)nnn1-c1ccccc1F.COc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccn3)n2)c1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3C3CC3)n2)c1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3C3CCCO3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3ccncc3)no2)c1C1CCCC1
• InChI: InChI=1S/C22H15FN6O2.C20H14F3N5O2.C20H17FN6O.C19H12F3N5O.C19H16FN5O4S/c1-30-15-8-6-7-14(13-15)21-25-22(31-27-21)19-20(17-10-4-5-12-24-17)29(28-26-19)18-11-3-2-9-16(18)23;21-11-7-8-13(22)12(10-11)19-24-20(30-26-19)17-18(16-6-3-9-29-16)28(27-25-17)15-5-2-1-4-14(15)23;21-15-7-3-4-8-16(15)27-18(13-5-1-2-6-13)17(24-26-27)20-23-19(25-28-20)14-9-11-22-12-10-14;20-11-7-8-13(21)12(9-11)18-23-19(28-25-18)16-17(10-5-6-10)27(26-24-16)15-4-2-1-3-14(15)22;1-28-11-16-17(22-24-25(16)15-9-4-3-8-14(15)20)19-21-18(23-29-19)12-6-5-7-13(10-12)30(2,26)27/h2-13H,1H3;1-2,4-5,7-8,10,16H,3,6,9H2;3-4,7-13H,1-2,5-6H2;1-4,7-10H,5-6H2;3-10H,11H2,1-2H3
• InChIKey: NGJXYGJUPUKLMD-UHFFFAOYSA-N
• XLogP: 19.58
• TPSA: 435.76 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 23
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2016.92
LogP ≤ 5	19.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?

The IUPAC name of 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 159773262) is 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

What is the SMILES notation for 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?

The canonical SMILES for 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is COCc1c(-c2nc(-c3cccc(S(C)(=O)=O)c3)no2)nnn1-c1ccccc1F.COc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccn3)n2)c1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3C3CC3)n2)c1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3C3CCCO3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3ccncc3)no2)c1C1CCCC1.

What is the InChIKey of 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?

The InChIKey is NGJXYGJUPUKLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6O2.C20H14F3N5O2.C20H17FN6O.C19H12F3N5O.C19H16FN5O4S/c1-30-15-8-6-7-14(13-15)21-25-22(31-27-21)19-20(17-10-4-5-12-24-17)29(28-26-19)18-11-3-2-9-16(18)23;21-11-7-8-13(22)12(10-11)19-24-20(30-26-19)17-18(16-6-3-9-29-16)28(27-25-17)15-5-2-1-4-14(15)23;21-15-7-3-4-8-16(15)27-18(13-5-1-2-6-13)17(24-26-27)20-23-19(25-28-20)14-9-11-22-12-10-14;20-11-7-8-13(21)12(9-11)18-23-19(28-25-18)16-17(10-5-6-10)27(26-24-16)15-4-2-1-3-14(15)22;1-28-11-16-17(22-24-25(16)15-9-4-3-8-14(15)20)19-21-18(23-29-19)12-6-5-7-13(10-12)30(2,26)27/h2-13H,1H3;1-2,4-5,7-8,10,16H,3,6,9H2;3-4,7-13H,1-2,5-6H2;1-4,7-10H,5-6H2;3-10H,11H2,1-2H3.

What are the key properties of 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?

5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 2016.92 g/mol, XLogP of 19.58, 23 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[5-cyclopropyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2,5-difluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 159773262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).