1-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methylpropyl)acetamide;5-[4-[1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyridin-2-amine;5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C117H121N37O8 — CID 157347242

About 1-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methylpropyl)acetamide;5-[4-[1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyridin-2-amine;5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

1-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methylpropyl)acetamide;5-[4-[1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyridin-2-amine;5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 157347242) has the molecular formula C117H121N37O8 and a molecular weight of 2173.51 g/mol. Its IUPAC name is 1-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methylpropyl)acetamide;5-[4-[1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyridin-2-amine;5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methylpropyl)acetamide;5-[4-[1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyridin-2-amine;5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 157347242
• Molecular Formula: C117H121N37O8
• Molecular Weight: 2173.51 g/mol
• Exact Mass: 2172.02
• IUPAC Name: 1-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methylpropyl)acetamide;5-[4-[1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyridin-2-amine;5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: CC(C)CNC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CCCc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COCCNc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CCN6CCCC6=O)c5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C25H26N8O2.C25H28N8O2.C23H24N8O2.C23H23N7O.C21H20N6O/c26-24-27-13-18(14-28-24)17-4-6-20(7-5-17)25(8-2-9-25)23-30-22(35-31-23)19-15-29-33(16-19)12-11-32-10-1-3-21(32)34;1-16(2)10-27-21(34)15-33-14-19(13-30-33)22-31-23(32-35-22)25(8-3-9-25)20-6-4-17(5-7-20)18-11-28-24(26)29-12-18;1-32-10-9-25-19-14-26-18(13-27-19)20-30-21(31-33-20)23(7-2-8-23)17-5-3-15(4-6-17)16-11-28-22(24)29-12-16;1-2-4-18-13-26-19(14-25-18)20-29-21(30-31-20)23(9-3-10-23)17-7-5-15(6-8-17)16-11-27-22(24)28-12-16;1-27-13-16(12-24-27)19-25-20(26-28-19)21(9-2-10-21)17-6-3-14(4-7-17)15-5-8-18(22)23-11-15/h4-7,13-16H,1-3,8-12H2,(H2,26,27,28);4-7,11-14,16H,3,8-10,15H2,1-2H3,(H,27,34)(H2,26,28,29);3-6,11-14H,2,7-10H2,1H3,(H,25,27)(H2,24,28,29);5-8,11-14H,2-4,9-10H2,1H3,(H2,24,27,28);3-8,11-13H,2,9-10H2,1H3,(H2,22,23)
• InChIKey: BHCPKJJARIONOE-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 616.40 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2173.51
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methylpropyl)acetamide;5-[4-[1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyridin-2-amine;5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The IUPAC name of 1-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methylpropyl)acetamide;5-[4-[1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyridin-2-amine;5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 157347242) is 1-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methylpropyl)acetamide;5-[4-[1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyridin-2-amine;5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 1-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methylpropyl)acetamide;5-[4-[1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyridin-2-amine;5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 1-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methylpropyl)acetamide;5-[4-[1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyridin-2-amine;5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CC(C)CNC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CCCc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COCCNc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CCN6CCCC6=O)c5)n4)CCC3)cc2)cn1.

What is the InChIKey of 1-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methylpropyl)acetamide;5-[4-[1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyridin-2-amine;5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is BHCPKJJARIONOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2.C25H28N8O2.C23H24N8O2.C23H23N7O.C21H20N6O/c26-24-27-13-18(14-28-24)17-4-6-20(7-5-17)25(8-2-9-25)23-30-22(35-31-23)19-15-29-33(16-19)12-11-32-10-1-3-21(32)34;1-16(2)10-27-21(34)15-33-14-19(13-30-33)22-31-23(32-35-22)25(8-3-9-25)20-6-4-17(5-7-20)18-11-28-24(26)29-12-18;1-32-10-9-25-19-14-26-18(13-27-19)20-30-21(31-33-20)23(7-2-8-23)17-5-3-15(4-6-17)16-11-28-22(24)29-12-16;1-2-4-18-13-26-19(14-25-18)20-29-21(30-31-20)23(9-3-10-23)17-7-5-15(6-8-17)16-11-27-22(24)28-12-16;1-27-13-16(12-24-27)19-25-20(26-28-19)21(9-2-10-21)17-6-3-14(4-7-17)15-5-8-18(22)23-11-15/h4-7,13-16H,1-3,8-12H2,(H2,26,27,28);4-7,11-14,16H,3,8-10,15H2,1-2H3,(H,27,34)(H2,26,28,29);3-6,11-14H,2,7-10H2,1H3,(H,25,27)(H2,24,28,29);5-8,11-14H,2-4,9-10H2,1H3,(H2,24,27,28);3-8,11-13H,2,9-10H2,1H3,(H2,22,23).

What are the key properties of 1-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methylpropyl)acetamide;5-[4-[1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyridin-2-amine;5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

1-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methylpropyl)acetamide;5-[4-[1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyridin-2-amine;5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 2173.51 g/mol, XLogP of 16.95, 33 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methylpropyl)acetamide;5-[4-[1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyridin-2-amine;5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 157347242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).