1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine

C114H114N34O9 — CID 159146540

About 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine

1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine (PubChem CID 159146540) has the molecular formula C114H114N34O9 and a molecular weight of 2104.39 g/mol. Its IUPAC name is 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine
• PubChem CID: 159146540
• Molecular Formula: C114H114N34O9
• Molecular Weight: 2104.39 g/mol
• Exact Mass: 2102.95
• IUPAC Name: 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine
• SMILES: CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)cc4)CCC3)no2)cn1.Cc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)no2)n(C)n1.Nc1cnc(-c2ccc(C3(c4noc(-c5cnc(N6CCNCC6)cn5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccccc5)n4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccncc5)n4)CCOCC3)cc2)cn1
• InChI: InChI=1S/C24H25N9O.C23H25N7O2.C23H21N5O2.C22H23N7O2.C22H20N6O2/c25-20-14-27-18(12-29-20)16-2-4-17(5-3-16)24(6-1-7-24)23-31-22(34-32-23)19-13-30-21(15-28-19)33-10-8-26-9-11-33;1-22(2,31)14-30-13-16(10-27-30)20-28-21(29-32-20)23(8-3-9-23)17-6-4-15(5-7-17)18-11-26-19(24)12-25-18;24-22-25-14-18(15-26-22)16-6-8-19(9-7-16)23(10-12-29-13-11-23)21-27-20(30-28-21)17-4-2-1-3-5-17;1-14-11-18(29(2)27-14)19-26-20(28-31-19)22(7-9-30-10-8-22)17-5-3-15(4-6-17)16-12-24-21(23)25-13-16;23-21-25-13-17(14-26-21)15-1-3-18(4-2-15)22(7-11-29-12-8-22)20-27-19(30-28-20)16-5-9-24-10-6-16/h2-5,12-15,26H,1,6-11H2,(H2,25,29);4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,26);1-9,14-15H,10-13H2,(H2,24,25,26);3-6,11-13H,7-10H2,1-2H3,(H2,23,24,25);1-6,9-10,13-14H,7-8,11-12H2,(H2,23,25,26)
• InChIKey: KITCPVMRFTYEQW-UHFFFAOYSA-N
• XLogP: 15.71
• TPSA: 591.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 23
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2104.39
LogP ≤ 5	15.71
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine?

The IUPAC name of 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine (CID 159146540) is 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine is CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)cc4)CCC3)no2)cn1.Cc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)no2)n(C)n1.Nc1cnc(-c2ccc(C3(c4noc(-c5cnc(N6CCNCC6)cn5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccccc5)n4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccncc5)n4)CCOCC3)cc2)cn1.

What is the InChIKey of 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine?

The InChIKey is KITCPVMRFTYEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O.C23H25N7O2.C23H21N5O2.C22H23N7O2.C22H20N6O2/c25-20-14-27-18(12-29-20)16-2-4-17(5-3-16)24(6-1-7-24)23-31-22(34-32-23)19-13-30-21(15-28-19)33-10-8-26-9-11-33;1-22(2,31)14-30-13-16(10-27-30)20-28-21(29-32-20)23(8-3-9-23)17-6-4-15(5-7-17)18-11-26-19(24)12-25-18;24-22-25-14-18(15-26-22)16-6-8-19(9-7-16)23(10-12-29-13-11-23)21-27-20(30-28-21)17-4-2-1-3-5-17;1-14-11-18(29(2)27-14)19-26-20(28-31-19)22(7-9-30-10-8-22)17-5-3-15(4-6-17)16-12-24-21(23)25-13-16;23-21-25-13-17(14-26-21)15-1-3-18(4-2-15)22(7-11-29-12-8-22)20-27-19(30-28-20)16-5-9-24-10-6-16/h2-5,12-15,26H,1,6-11H2,(H2,25,29);4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,26);1-9,14-15H,10-13H2,(H2,24,25,26);3-6,11-13H,7-10H2,1-2H3,(H2,23,24,25);1-6,9-10,13-14H,7-8,11-12H2,(H2,23,25,26).

What are the key properties of 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine?

1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine has a molecular weight of 2104.39 g/mol, XLogP of 15.71, 23 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159146540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).