5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]amino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine

C131H128N44O11S — CID 158837168

About 5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]amino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine

5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]amino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 158837168) has the molecular formula C131H128N44O11S and a molecular weight of 2526.83 g/mol. Its IUPAC name is 5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]amino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]amino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 158837168
• Molecular Formula: C131H128N44O11S
• Molecular Weight: 2526.83 g/mol
• Exact Mass: 2525.05
• IUPAC Name: 5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]amino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: COCCNC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.NCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc6nccn6c5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C6CCS(=O)(=O)C6)c5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn6cccnc56)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(NCCO)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C24H26N8O3.C23H23N7O3S.C23H19N7O.C22H18N8O.C21H22N8O.C18H20N6O2/c1-34-10-9-26-20(33)15-32-14-18(13-29-32)21-30-22(31-35-21)24(7-2-8-24)19-5-3-16(4-6-19)17-11-27-23(25)28-12-17;24-22-25-10-16(11-26-22)15-2-4-18(5-3-15)23(7-1-8-23)21-28-20(33-29-21)17-12-27-30(13-17)19-6-9-34(31,32)14-19;24-22-26-12-17(13-27-22)15-2-5-18(6-3-15)23(8-1-9-23)21-28-20(31-29-21)16-4-7-19-25-10-11-30(19)14-16;23-21-25-11-15(12-26-21)14-3-5-16(6-4-14)22(7-1-8-22)20-28-19(31-29-20)17-13-27-30-10-2-9-24-18(17)30;22-8-9-29-13-16(12-26-29)18-27-19(28-30-18)21(6-1-7-21)17-4-2-14(3-5-17)15-10-24-20(23)25-11-15;19-16-21-10-13(11-22-16)12-2-4-14(5-3-12)18(6-1-7-18)15-23-17(26-24-15)20-8-9-25/h3-6,11-14H,2,7-10,15H2,1H3,(H,26,33)(H2,25,27,28);2-5,10-13,19H,1,6-9,14H2,(H2,24,25,26);2-7,10-14H,1,8-9H2,(H2,24,26,27);2-6,9-13H,1,7-8H2,(H2,23,25,26);2-5,10-13H,1,6-9,22H2,(H2,23,24,25);2-5,10-11,25H,1,6-9H2,(H2,19,21,22)(H,20,23,24)
• InChIKey: IXTXNQGOMRGCOL-UHFFFAOYSA-N
• XLogP: 16.57
• TPSA: 776.02 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 54
• Rotatable Bonds: 34
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2526.83
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]amino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine?

The IUPAC name of 5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]amino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine (CID 158837168) is 5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]amino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]amino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]amino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine is COCCNC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.NCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc6nccn6c5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C6CCS(=O)(=O)C6)c5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn6cccnc56)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(NCCO)n4)CCC3)cc2)cn1.

What is the InChIKey of 5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]amino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is IXTXNQGOMRGCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3.C23H23N7O3S.C23H19N7O.C22H18N8O.C21H22N8O.C18H20N6O2/c1-34-10-9-26-20(33)15-32-14-18(13-29-32)21-30-22(31-35-21)24(7-2-8-24)19-5-3-16(4-6-19)17-11-27-23(25)28-12-17;24-22-25-10-16(11-26-22)15-2-4-18(5-3-15)23(7-1-8-23)21-28-20(33-29-21)17-12-27-30(13-17)19-6-9-34(31,32)14-19;24-22-26-12-17(13-27-22)15-2-5-18(6-3-15)23(8-1-9-23)21-28-20(31-29-21)16-4-7-19-25-10-11-30(19)14-16;23-21-25-11-15(12-26-21)14-3-5-16(6-4-14)22(7-1-8-22)20-28-19(31-29-20)17-13-27-30-10-2-9-24-18(17)30;22-8-9-29-13-16(12-26-29)18-27-19(28-30-18)21(6-1-7-21)17-4-2-14(3-5-17)15-10-24-20(23)25-11-15;19-16-21-10-13(11-22-16)12-2-4-14(5-3-12)18(6-1-7-18)15-23-17(26-24-15)20-8-9-25/h3-6,11-14H,2,7-10,15H2,1H3,(H,26,33)(H2,25,27,28);2-5,10-13,19H,1,6-9,14H2,(H2,24,25,26);2-7,10-14H,1,8-9H2,(H2,24,26,27);2-6,9-13H,1,7-8H2,(H2,23,25,26);2-5,10-13H,1,6-9,22H2,(H2,23,24,25);2-5,10-11,25H,1,6-9H2,(H2,19,21,22)(H,20,23,24).

What are the key properties of 5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]amino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine?

5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]amino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 2526.83 g/mol, XLogP of 16.57, 34 rotatable bonds, 10 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]amino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158837168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).