1-cyclopropyl-N-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]methanamine;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C111H76F10N30O9 — CID 158253029

About 1-cyclopropyl-N-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]methanamine;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

1-cyclopropyl-N-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]methanamine;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 158253029) has the molecular formula C111H76F10N30O9 and a molecular weight of 2164.01 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]methanamine;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 1-cyclopropyl-N-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]methanamine;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
• PubChem CID: 158253029
• Molecular Formula: C111H76F10N30O9
• Molecular Weight: 2164.01 g/mol
• Exact Mass: 2162.63
• IUPAC Name: 1-cyclopropyl-N-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]methanamine;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
• SMILES: Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3CNCC3CC3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(C4OCCO4)cc3)no2)c1-c1ccncc1.OCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.OCc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1
• InChI: InChI=1S/C24H17FN6O3.C22H12F4N6O.2C22H15FN6O2.C21H17F3N6O/c25-18-3-1-2-4-19(18)31-21(15-9-11-26-12-10-15)20(28-30-31)23-27-22(29-34-23)16-5-7-17(8-6-16)24-32-13-14-33-24;23-16-3-1-2-4-17(16)32-19(13-9-11-27-12-10-13)18(29-31-32)21-28-20(30-33-21)14-5-7-15(8-6-14)22(24,25)26;23-17-6-1-2-7-18(17)29-20(15-8-10-24-11-9-15)19(26-28-29)22-25-21(27-31-22)16-5-3-4-14(12-16)13-30;23-17-3-1-2-4-18(17)29-20(15-9-11-24-12-10-15)19(26-28-29)22-25-21(27-31-22)16-7-5-14(13-30)6-8-16;22-13-7-8-15(23)14(9-13)20-26-21(31-28-20)19-18(11-25-10-12-5-6-12)30(29-27-19)17-4-2-1-3-16(17)24/h1-12,24H,13-14H2;1-12H;2*1-12,30H,13H2;1-4,7-9,12,25H,5-6,10-11H2
• InChIKey: GGYGPWJREBBZSP-UHFFFAOYSA-N
• XLogP: 20.69
• TPSA: 470.66 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	2164.01
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]methanamine;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?

The IUPAC name of 1-cyclopropyl-N-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]methanamine;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 158253029) is 1-cyclopropyl-N-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]methanamine;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 1-cyclopropyl-N-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]methanamine;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 1-cyclopropyl-N-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]methanamine;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3CNCC3CC3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1-c1ccncc1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(C4OCCO4)cc3)no2)c1-c1ccncc1.OCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.OCc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.

What is the InChIKey of 1-cyclopropyl-N-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]methanamine;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?

The InChIKey is GGYGPWJREBBZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6O3.C22H12F4N6O.2C22H15FN6O2.C21H17F3N6O/c25-18-3-1-2-4-19(18)31-21(15-9-11-26-12-10-15)20(28-30-31)23-27-22(29-34-23)16-5-7-17(8-6-16)24-32-13-14-33-24;23-16-3-1-2-4-17(16)32-19(13-9-11-27-12-10-13)18(29-31-32)21-28-20(30-33-21)14-5-7-15(8-6-14)22(24,25)26;23-17-6-1-2-7-18(17)29-20(15-8-10-24-11-9-15)19(26-28-29)22-25-21(27-31-22)16-5-3-4-14(12-16)13-30;23-17-3-1-2-4-18(17)29-20(15-9-11-24-12-10-15)19(26-28-29)22-25-21(27-31-22)16-7-5-14(13-30)6-8-16;22-13-7-8-15(23)14(9-13)20-26-21(31-28-20)19-18(11-25-10-12-5-6-12)30(29-27-19)17-4-2-1-3-16(17)24/h1-12,24H,13-14H2;1-12H;2*1-12,30H,13H2;1-4,7-9,12,25H,5-6,10-11H2.

What are the key properties of 1-cyclopropyl-N-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]methanamine;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?

1-cyclopropyl-N-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]methanamine;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 2164.01 g/mol, XLogP of 20.69, 26 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-N-[[5-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-yl]methyl]methanamine;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 158253029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).