1-[4-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone;5-[4-[1-[5-[1-[1-(dimethylamino)propan-2-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-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C93H100N32O6 — CID 158565455

About 1-[4-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone;5-[4-[1-[5-[1-[1-(dimethylamino)propan-2-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-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

1-[4-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone;5-[4-[1-[5-[1-[1-(dimethylamino)propan-2-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-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 158565455) has the molecular formula C93H100N32O6 and a molecular weight of 1762.04 g/mol. Its IUPAC name is 1-[4-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone;5-[4-[1-[5-[1-[1-(dimethylamino)propan-2-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-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[4-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone;5-[4-[1-[5-[1-[1-(dimethylamino)propan-2-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-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 158565455
• Molecular Formula: C93H100N32O6
• Molecular Weight: 1762.04 g/mol
• Exact Mass: 1760.85
• IUPAC Name: 1-[4-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone;5-[4-[1-[5-[1-[1-(dimethylamino)propan-2-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-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: CC(=O)N1CCN(CCn2cc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cn2)CC1.CC(CN(C)C)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COCCNc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)ccn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ncn[nH]5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C27H31N9O2.C24H28N8O.C24H25N7O2.C18H16N8O/c1-19(37)35-12-9-34(10-13-35)11-14-36-18-22(17-31-36)24-32-25(33-38-24)27(7-2-8-27)23-5-3-20(4-6-23)21-15-29-26(28)30-16-21;1-16(14-31(2)3)32-15-19(13-28-32)21-29-22(30-33-21)24(9-4-10-24)20-7-5-17(6-8-20)18-11-26-23(25)27-12-18;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;19-17-20-8-12(9-21-17)11-2-4-13(5-3-11)18(6-1-7-18)16-24-15(27-26-16)14-22-10-23-25-14/h3-6,15-18H,2,7-14H2,1H3,(H2,28,29,30);5-8,11-13,15-16H,4,9-10,14H2,1-3H3,(H2,25,26,27);3-7,10,13-15H,2,8-9,11-12H2,1H3,(H,26,27)(H2,25,28,29);2-5,8-10H,1,6-7H2,(H2,19,20,21)(H,22,23,25)
• InChIKey: HRKOCIKGTNOQOU-UHFFFAOYSA-N
• XLogP: 12.23
• TPSA: 501.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1762.04
LogP ≤ 5	12.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone;5-[4-[1-[5-[1-[1-(dimethylamino)propan-2-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-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The IUPAC name of 1-[4-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone;5-[4-[1-[5-[1-[1-(dimethylamino)propan-2-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-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 158565455) is 1-[4-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone;5-[4-[1-[5-[1-[1-(dimethylamino)propan-2-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-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 1-[4-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone;5-[4-[1-[5-[1-[1-(dimethylamino)propan-2-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-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 1-[4-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone;5-[4-[1-[5-[1-[1-(dimethylamino)propan-2-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-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CC(=O)N1CCN(CCn2cc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cn2)CC1.CC(CN(C)C)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COCCNc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)ccn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ncn[nH]5)n4)CCC3)cc2)cn1.

What is the InChIKey of 1-[4-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone;5-[4-[1-[5-[1-[1-(dimethylamino)propan-2-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-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is HRKOCIKGTNOQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N9O2.C24H28N8O.C24H25N7O2.C18H16N8O/c1-19(37)35-12-9-34(10-13-35)11-14-36-18-22(17-31-36)24-32-25(33-38-24)27(7-2-8-27)23-5-3-20(4-6-23)21-15-29-26(28)30-16-21;1-16(14-31(2)3)32-15-19(13-28-32)21-29-22(30-33-21)24(9-4-10-24)20-7-5-17(6-8-20)18-11-26-23(25)27-12-18;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;19-17-20-8-12(9-21-17)11-2-4-13(5-3-11)18(6-1-7-18)16-24-15(27-26-16)14-22-10-23-25-14/h3-6,15-18H,2,7-14H2,1H3,(H2,28,29,30);5-8,11-13,15-16H,4,9-10,14H2,1-3H3,(H2,25,26,27);3-7,10,13-15H,2,8-9,11-12H2,1H3,(H,26,27)(H2,25,28,29);2-5,8-10H,1,6-7H2,(H2,19,20,21)(H,22,23,25).

What are the key properties of 1-[4-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone;5-[4-[1-[5-[1-[1-(dimethylamino)propan-2-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-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

1-[4-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone;5-[4-[1-[5-[1-[1-(dimethylamino)propan-2-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-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 1762.04 g/mol, XLogP of 12.23, 26 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone;5-[4-[1-[5-[1-[1-(dimethylamino)propan-2-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-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158565455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).