5-[4-[1-[5-(5-aminopyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-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,N-dimethylacetamide;5-[4-[1-[5-(1H-isoindol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C115H113N35O8 — CID 159198630

About 5-[4-[1-[5-(5-aminopyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-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,N-dimethylacetamide;5-[4-[1-[5-(1H-isoindol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

5-[4-[1-[5-(5-aminopyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-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,N-dimethylacetamide;5-[4-[1-[5-(1H-isoindol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 159198630) has the molecular formula C115H113N35O8 and a molecular weight of 2113.41 g/mol. Its IUPAC name is 5-[4-[1-[5-(5-aminopyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-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,N-dimethylacetamide;5-[4-[1-[5-(1H-isoindol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[4-[1-[5-(5-aminopyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-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,N-dimethylacetamide;5-[4-[1-[5-(1H-isoindol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 159198630
• Molecular Formula: C115H113N35O8
• Molecular Weight: 2113.41 g/mol
• Exact Mass: 2111.95
• IUPAC Name: 5-[4-[1-[5-(5-aminopyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-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,N-dimethylacetamide;5-[4-[1-[5-(1H-isoindol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)cc4)CCC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)cc4)CCC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc6c(c5)C=NC6)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C24H25N7O2.C24H26N6O2.C24H20N6O.C23H24N8O2.C20H18N8O/c1-30(2)21(32)15-31-14-18(13-27-31)22-28-23(29-33-22)24(10-3-11-24)19-7-4-16(5-8-19)17-6-9-20(25)26-12-17;1-23(2,31)15-30-14-18(13-27-30)21-28-22(29-32-21)24(10-3-11-24)19-7-4-16(5-8-19)17-6-9-20(25)26-12-17;25-23-27-13-19(14-28-23)15-4-6-20(7-5-15)24(8-1-9-24)22-29-21(31-30-22)16-2-3-17-11-26-12-18(17)10-16;1-30(2)19(32)14-31-13-17(12-27-31)20-28-21(29-33-20)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-22(24)26-11-16;21-16-11-23-15(10-24-16)17-27-18(28-29-17)20(6-1-7-20)14-4-2-12(3-5-14)13-8-25-19(22)26-9-13/h4-9,12-14H,3,10-11,15H2,1-2H3,(H2,25,26);4-9,12-14,31H,3,10-11,15H2,1-2H3,(H2,25,26);2-7,10,12-14H,1,8-9,11H2,(H2,25,27,28);4-7,10-13H,3,8-9,14H2,1-2H3,(H2,24,25,26);2-5,8-11H,1,6-7H2,(H2,21,24)(H2,22,25,26)
• InChIKey: KOZLRWNNVUNGII-UHFFFAOYSA-N
• XLogP: 16.28
• TPSA: 606.29 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 26
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2113.41
LogP ≤ 5	16.28
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[5-(5-aminopyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-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,N-dimethylacetamide;5-[4-[1-[5-(1H-isoindol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The IUPAC name of 5-[4-[1-[5-(5-aminopyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-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,N-dimethylacetamide;5-[4-[1-[5-(1H-isoindol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 159198630) is 5-[4-[1-[5-(5-aminopyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-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,N-dimethylacetamide;5-[4-[1-[5-(1H-isoindol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 5-[4-[1-[5-(5-aminopyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-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,N-dimethylacetamide;5-[4-[1-[5-(1H-isoindol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 5-[4-[1-[5-(5-aminopyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-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,N-dimethylacetamide;5-[4-[1-[5-(1H-isoindol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)cc4)CCC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)cc4)CCC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc6c(c5)C=NC6)n4)CCC3)cc2)cn1.

What is the InChIKey of 5-[4-[1-[5-(5-aminopyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-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,N-dimethylacetamide;5-[4-[1-[5-(1H-isoindol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is KOZLRWNNVUNGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2.C24H26N6O2.C24H20N6O.C23H24N8O2.C20H18N8O/c1-30(2)21(32)15-31-14-18(13-27-31)22-28-23(29-33-22)24(10-3-11-24)19-7-4-16(5-8-19)17-6-9-20(25)26-12-17;1-23(2,31)15-30-14-18(13-27-30)21-28-22(29-32-21)24(10-3-11-24)19-7-4-16(5-8-19)17-6-9-20(25)26-12-17;25-23-27-13-19(14-28-23)15-4-6-20(7-5-15)24(8-1-9-24)22-29-21(31-30-22)16-2-3-17-11-26-12-18(17)10-16;1-30(2)19(32)14-31-13-17(12-27-31)20-28-21(29-33-20)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-22(24)26-11-16;21-16-11-23-15(10-24-16)17-27-18(28-29-17)20(6-1-7-20)14-4-2-12(3-5-14)13-8-25-19(22)26-9-13/h4-9,12-14H,3,10-11,15H2,1-2H3,(H2,25,26);4-9,12-14,31H,3,10-11,15H2,1-2H3,(H2,25,26);2-7,10,12-14H,1,8-9,11H2,(H2,25,27,28);4-7,10-13H,3,8-9,14H2,1-2H3,(H2,24,25,26);2-5,8-11H,1,6-7H2,(H2,21,24)(H2,22,25,26).

What are the key properties of 5-[4-[1-[5-(5-aminopyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-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,N-dimethylacetamide;5-[4-[1-[5-(1H-isoindol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

5-[4-[1-[5-(5-aminopyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-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,N-dimethylacetamide;5-[4-[1-[5-(1H-isoindol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 2113.41 g/mol, XLogP of 16.28, 26 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[1-[5-(5-aminopyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-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,N-dimethylacetamide;5-[4-[1-[5-(1H-isoindol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159198630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).