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

C114H83F9N30O7 — CID 159329114

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-(1,1-difluoroethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-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-(1,1-difluoroethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole (PubChem CID 159329114) has the molecular formula C114H83F9N30O7 and a molecular weight of 2156.10 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-(1,1-difluoroethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-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-(1,1-difluoroethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole
• PubChem CID: 159329114
• Molecular Formula: C114H83F9N30O7
• Molecular Weight: 2156.10 g/mol
• Exact Mass: 2154.69
• 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-(1,1-difluoroethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole
• SMILES: CC(F)(F)c1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.CCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.CCc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3CNCC3CC3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(C4OCCO4)cc3)no2)c1-c1ccncc1
• InChI: InChI=1S/C24H17FN6O3.C23H15F3N6O.2C23H17FN6O.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;1-23(25,26)16-8-6-15(7-9-16)21-28-22(33-30-21)19-20(14-10-12-27-13-11-14)32(31-29-19)18-5-3-2-4-17(18)24;1-2-15-6-5-7-17(14-15)22-26-23(31-28-22)20-21(16-10-12-25-13-11-16)30(29-27-20)19-9-4-3-8-18(19)24;1-2-15-7-9-17(10-8-15)22-26-23(31-28-22)20-21(16-11-13-25-14-12-16)30(29-27-20)19-6-4-3-5-18(19)24;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;2-13H,1H3;2*3-14H,2H2,1H3;1-4,7-9,12,25H,5-6,10-11H2
• InChIKey: LETBIFGDYWBNGZ-UHFFFAOYSA-N
• XLogP: 22.92
• TPSA: 430.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2156.10
LogP ≤ 5	22.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

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-(1,1-difluoroethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-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-(1,1-difluoroethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole (CID 159329114) 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-(1,1-difluoroethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-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-(1,1-difluoroethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-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-(1,1-difluoroethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole is CC(F)(F)c1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.CCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.CCc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1.Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3CNCC3CC3)n2)c1.Fc1ccccc1-n1nnc(-c2nc(-c3ccc(C4OCCO4)cc3)no2)c1-c1ccncc1.

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-(1,1-difluoroethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?

The InChIKey is LETBIFGDYWBNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6O3.C23H15F3N6O.2C23H17FN6O.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;1-23(25,26)16-8-6-15(7-9-16)21-28-22(33-30-21)19-20(14-10-12-27-13-11-14)32(31-29-19)18-5-3-2-4-17(18)24;1-2-15-6-5-7-17(14-15)22-26-23(31-28-22)20-21(16-10-12-25-13-11-16)30(29-27-20)19-9-4-3-8-18(19)24;1-2-15-7-9-17(10-8-15)22-26-23(31-28-22)20-21(16-11-13-25-14-12-16)30(29-27-20)19-6-4-3-5-18(19)24;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;2-13H,1H3;2*3-14H,2H2,1H3;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-(1,1-difluoroethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-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-(1,1-difluoroethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 2156.10 g/mol, XLogP of 22.92, 27 rotatable bonds, 1 hydrogen bond donors, and 37 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-(1,1-difluoroethyl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-[4-(1,3-dioxolan-2-yl)phenyl]-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(3-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 159329114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).