2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole

C90H87F3N30O6 — CID 160943891

About 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole

2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole (PubChem CID 160943891) has the molecular formula C90H87F3N30O6 and a molecular weight of 1741.88 g/mol. Its IUPAC name is 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole
• PubChem CID: 160943891
• Molecular Formula: C90H87F3N30O6
• Molecular Weight: 1741.88 g/mol
• Exact Mass: 1740.74
• IUPAC Name: 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole
• SMILES: CC(C)N(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Cn1cc(-c2nc(C3(c4ccc(-c5cnc6[nH]ccc6n5)cc4)CCC3)no2)cn1.Cn1cnc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)cc4)CCC3)no2)c1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)NCC(F)(F)F)c5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C25H28N8O2.C23H21F3N8O2.C22H19N7O.C20H19N7O/c1-16(2)32(3)21(34)15-33-14-19(13-29-33)22-30-23(31-35-22)25(9-4-10-25)20-7-5-17(6-8-20)18-11-27-24(26)28-12-18;24-23(25,26)13-30-18(35)12-34-11-16(10-31-34)19-32-20(33-36-19)22(6-1-7-22)17-4-2-14(3-5-17)15-8-28-21(27)29-9-15;1-29-13-15(11-25-29)20-27-21(28-30-20)22(8-2-9-22)16-5-3-14(4-6-16)18-12-24-19-17(26-18)7-10-23-19;1-27-11-16(24-12-27)18-25-19(26-28-18)20(7-2-8-20)14-5-3-13(4-6-14)15-9-23-17(21)10-22-15/h5-8,11-14,16H,4,9-10,15H2,1-3H3,(H2,26,27,28);2-5,8-11H,1,6-7,12-13H2,(H,30,35)(H2,27,28,29);3-7,10-13H,2,8-9H2,1H3,(H,23,24);3-6,9-12H,2,7-8H2,1H3,(H2,21,23)
• InChIKey: SUVZNKVLGWMIJR-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 473.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1741.88
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole?

The IUPAC name of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole (CID 160943891) is 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole.

What is the SMILES notation for 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole?

The canonical SMILES for 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole is CC(C)N(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Cn1cc(-c2nc(C3(c4ccc(-c5cnc6[nH]ccc6n5)cc4)CCC3)no2)cn1.Cn1cnc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)cc4)CCC3)no2)c1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)NCC(F)(F)F)c5)n4)CCC3)cc2)cn1.

What is the InChIKey of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole?

The InChIKey is SUVZNKVLGWMIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2.C23H21F3N8O2.C22H19N7O.C20H19N7O/c1-16(2)32(3)21(34)15-33-14-19(13-29-33)22-30-23(31-35-22)25(9-4-10-25)20-7-5-17(6-8-20)18-11-27-24(26)28-12-18;24-23(25,26)13-30-18(35)12-34-11-16(10-31-34)19-32-20(33-36-19)22(6-1-7-22)17-4-2-14(3-5-17)15-8-28-21(27)29-9-15;1-29-13-15(11-25-29)20-27-21(28-30-20)22(8-2-9-22)16-5-3-14(4-6-16)18-12-24-19-17(26-18)7-10-23-19;1-27-11-16(24-12-27)18-25-19(26-28-18)20(7-2-8-20)14-5-3-13(4-6-14)15-9-23-17(21)10-22-15/h5-8,11-14,16H,4,9-10,15H2,1-3H3,(H2,26,27,28);2-5,8-11H,1,6-7,12-13H2,(H,30,35)(H2,27,28,29);3-7,10-13H,2,8-9H2,1H3,(H,23,24);3-6,9-12H,2,7-8H2,1H3,(H2,21,23).

What are the key properties of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole?

2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole has a molecular weight of 1741.88 g/mol, XLogP of 13.29, 22 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole is sourced from PubChem (CID 160943891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).