2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(oxolan-2-ylmethyl)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-[2-(2-methoxyethylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C95H97N29O10S — CID 159453806

About 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(oxolan-2-ylmethyl)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-[2-(2-methoxyethylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(oxolan-2-ylmethyl)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-[2-(2-methoxyethylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 159453806) has the molecular formula C95H97N29O10S and a molecular weight of 1837.08 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-(oxolan-2-ylmethyl)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-[2-(2-methoxyethylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

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-(oxolan-2-ylmethyl)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-[2-(2-methoxyethylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 159453806
• Molecular Formula: C95H97N29O10S
• Molecular Weight: 1837.08 g/mol
• Exact Mass: 1835.77
• IUPAC Name: 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(oxolan-2-ylmethyl)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-[2-(2-methoxyethylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: COCCNc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)ccn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C6CCS(=O)(=O)C6)c5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)NCC6CCCO6)c5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C26H28N8O3.C24H25N7O2.C23H23N7O3S.C22H21N7O2/c27-25-29-11-18(12-30-25)17-4-6-20(7-5-17)26(8-2-9-26)24-32-23(37-33-24)19-13-31-34(15-19)16-22(35)28-14-21-3-1-10-36-21;1-32-12-11-27-20-13-17(7-10-26-20)21-30-22(31-33-21)24(8-2-9-24)19-5-3-16(4-6-19)18-14-28-23(25)29-15-18;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;23-21-24-8-15(9-25-21)14-2-4-17(5-3-14)22(6-1-7-22)20-27-19(31-28-20)16-10-26-29(11-16)18-12-30-13-18/h4-7,11-13,15,21H,1-3,8-10,14,16H2,(H,28,35)(H2,27,29,30);3-7,10,13-15H,2,8-9,11-12H2,1H3,(H,26,27)(H2,25,28,29);2-5,10-13,19H,1,6-9,14H2,(H2,24,25,26);2-5,8-11,18H,1,6-7,12-13H2,(H2,23,24,25)
• InChIKey: LTSCDMKSILSWBG-UHFFFAOYSA-N
• XLogP: 12.25
• TPSA: 532.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1837.08
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

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-(oxolan-2-ylmethyl)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-[2-(2-methoxyethylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

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-(oxolan-2-ylmethyl)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-[2-(2-methoxyethylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 159453806) is 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(oxolan-2-ylmethyl)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-[2-(2-methoxyethylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

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-(oxolan-2-ylmethyl)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-[2-(2-methoxyethylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

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-(oxolan-2-ylmethyl)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-[2-(2-methoxyethylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is COCCNc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)ccn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C6CCS(=O)(=O)C6)c5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)NCC6CCCO6)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-(oxolan-2-ylmethyl)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-[2-(2-methoxyethylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is LTSCDMKSILSWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O3.C24H25N7O2.C23H23N7O3S.C22H21N7O2/c27-25-29-11-18(12-30-25)17-4-6-20(7-5-17)26(8-2-9-26)24-32-23(37-33-24)19-13-31-34(15-19)16-22(35)28-14-21-3-1-10-36-21;1-32-12-11-27-20-13-17(7-10-26-20)21-30-22(31-33-21)24(8-2-9-24)19-5-3-16(4-6-19)18-14-28-23(25)29-15-18;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;23-21-24-8-15(9-25-21)14-2-4-17(5-3-14)22(6-1-7-22)20-27-19(31-28-20)16-10-26-29(11-16)18-12-30-13-18/h4-7,11-13,15,21H,1-3,8-10,14,16H2,(H,28,35)(H2,27,29,30);3-7,10,13-15H,2,8-9,11-12H2,1H3,(H,26,27)(H2,25,28,29);2-5,10-13,19H,1,6-9,14H2,(H2,24,25,26);2-5,8-11,18H,1,6-7,12-13H2,(H2,23,24,25).

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-(oxolan-2-ylmethyl)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-[2-(2-methoxyethylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(oxolan-2-ylmethyl)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-[2-(2-methoxyethylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 1837.08 g/mol, XLogP of 12.25, 26 rotatable bonds, 6 hydrogen bond donors, and 38 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-(oxolan-2-ylmethyl)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-[2-(2-methoxyethylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159453806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).