1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine

C114H115N33O8 — CID 158107074

About 1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine

1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 158107074) has the molecular formula C114H115N33O8 and a molecular weight of 2075.40 g/mol. Its IUPAC name is 1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 158107074
• Molecular Formula: C114H115N33O8
• Molecular Weight: 2075.40 g/mol
• Exact Mass: 2073.96
• IUPAC Name: 1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: CC(C)(C)NC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CC(C)(O)Cn1cncc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)no1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccccc5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cccnc5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C25H28N8O2.2C23H25N7O2.C22H19N5O.C21H18N6O/c1-24(2,3)31-20(34)15-33-14-18(13-29-33)21-30-22(32-35-21)25(9-4-10-25)19-7-5-16(6-8-19)17-11-27-23(26)28-12-17;1-22(2,31)14-30-13-17(12-27-30)19-28-20(29-32-19)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-21(24)26-11-16;1-22(2,31)13-30-14-25-12-18(30)19-28-20(29-32-19)23(8-3-9-23)17-6-4-15(5-7-17)16-10-26-21(24)27-11-16;23-21-24-13-17(14-25-21)15-7-9-18(10-8-15)22(11-4-12-22)20-26-19(28-27-20)16-5-2-1-3-6-16;22-20-24-12-16(13-25-20)14-4-6-17(7-5-14)21(8-2-9-21)19-26-18(28-27-19)15-3-1-10-23-11-15/h5-8,11-14H,4,9-10,15H2,1-3H3,(H,31,34)(H2,26,27,28);4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,25,26);4-7,10-12,14,31H,3,8-9,13H2,1-2H3,(H2,24,26,27);1-3,5-10,13-14H,4,11-12H2,(H2,23,24,25);1,3-7,10-13H,2,8-9H2,(H2,22,24,25)
• InChIKey: FPYUCESPNFJPDN-UHFFFAOYSA-N
• XLogP: 17.67
• TPSA: 589.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 26
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2075.40
LogP ≤ 5	17.67
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine?

The IUPAC name of 1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine (CID 158107074) is 1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine is CC(C)(C)NC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CC(C)(O)Cn1cncc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)no1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccccc5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cccnc5)n4)CCC3)cc2)cn1.

What is the InChIKey of 1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is FPYUCESPNFJPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2.2C23H25N7O2.C22H19N5O.C21H18N6O/c1-24(2,3)31-20(34)15-33-14-18(13-29-33)21-30-22(32-35-21)25(9-4-10-25)19-7-5-16(6-8-19)17-11-27-23(26)28-12-17;1-22(2,31)14-30-13-17(12-27-30)19-28-20(29-32-19)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-21(24)26-11-16;1-22(2,31)13-30-14-25-12-18(30)19-28-20(29-32-19)23(8-3-9-23)17-6-4-15(5-7-17)16-10-26-21(24)27-11-16;23-21-24-13-17(14-25-21)15-7-9-18(10-8-15)22(11-4-12-22)20-26-19(28-27-20)16-5-2-1-3-6-16;22-20-24-12-16(13-25-20)14-4-6-17(7-5-14)21(8-2-9-21)19-26-18(28-27-19)15-3-1-10-23-11-15/h5-8,11-14H,4,9-10,15H2,1-3H3,(H,31,34)(H2,26,27,28);4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,25,26);4-7,10-12,14,31H,3,8-9,13H2,1-2H3,(H2,24,26,27);1-3,5-10,13-14H,4,11-12H2,(H2,23,24,25);1,3-7,10-13H,2,8-9H2,(H2,22,24,25).

What are the key properties of 1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine?

1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 2075.40 g/mol, XLogP of 17.67, 26 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158107074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).