3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(propan-2-ylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C112H108N34O8 — CID 161490327

About 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(propan-2-ylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(propan-2-ylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 161490327) has the molecular formula C112H108N34O8 and a molecular weight of 2058.33 g/mol. Its IUPAC name is 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(propan-2-ylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(propan-2-ylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 161490327
• Molecular Formula: C112H108N34O8
• Molecular Weight: 2058.33 g/mol
• Exact Mass: 2056.91
• IUPAC Name: 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(propan-2-ylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: CC(C)Nc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CNc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COCCN(C)c1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(O)cc5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cccc(O)c5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C24H26N8O2.C23H24N8O.2C22H19N5O2.C21H20N8O/c1-32(10-11-33-2)20-15-26-19(14-27-20)21-30-22(31-34-21)24(8-3-9-24)18-6-4-16(5-7-18)17-12-28-23(25)29-13-17;1-14(2)29-19-13-25-18(12-26-19)20-30-21(31-32-20)23(8-3-9-23)17-6-4-15(5-7-17)16-10-27-22(24)28-11-16;23-21-24-12-16(13-25-21)14-2-6-17(7-3-14)22(10-1-11-22)20-26-19(29-27-20)15-4-8-18(28)9-5-15;23-21-24-12-16(13-25-21)14-5-7-17(8-6-14)22(9-2-10-22)20-26-19(29-27-20)15-3-1-4-18(28)11-15;1-23-17-12-24-16(11-25-17)18-28-19(29-30-18)21(7-2-8-21)15-5-3-13(4-6-15)14-9-26-20(22)27-10-14/h4-7,12-15H,3,8-11H2,1-2H3,(H2,25,28,29);4-7,10-14H,3,8-9H2,1-2H3,(H,26,29)(H2,24,27,28);2-9,12-13,28H,1,10-11H2,(H2,23,24,25);1,3-8,11-13,28H,2,9-10H2,(H2,23,24,25);3-6,9-12H,2,7-8H2,1H3,(H,23,25)(H2,22,26,27)
• InChIKey: WFNDRBUAUJTDDW-UHFFFAOYSA-N
• XLogP: 17.95
• TPSA: 607.93 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 42
• Rotatable Bonds: 27
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2058.33
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(propan-2-ylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The IUPAC name of 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(propan-2-ylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 161490327) is 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(propan-2-ylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(propan-2-ylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(propan-2-ylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CC(C)Nc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CNc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COCCN(C)c1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(O)cc5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cccc(O)c5)n4)CCC3)cc2)cn1.

What is the InChIKey of 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(propan-2-ylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is WFNDRBUAUJTDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2.C23H24N8O.2C22H19N5O2.C21H20N8O/c1-32(10-11-33-2)20-15-26-19(14-27-20)21-30-22(31-34-21)24(8-3-9-24)18-6-4-16(5-7-18)17-12-28-23(25)29-13-17;1-14(2)29-19-13-25-18(12-26-19)20-30-21(31-32-20)23(8-3-9-23)17-6-4-15(5-7-17)16-10-27-22(24)28-11-16;23-21-24-12-16(13-25-21)14-2-6-17(7-3-14)22(10-1-11-22)20-26-19(29-27-20)15-4-8-18(28)9-5-15;23-21-24-12-16(13-25-21)14-5-7-17(8-6-14)22(9-2-10-22)20-26-19(29-27-20)15-3-1-4-18(28)11-15;1-23-17-12-24-16(11-25-17)18-28-19(29-30-18)21(7-2-8-21)15-5-3-13(4-6-15)14-9-26-20(22)27-10-14/h4-7,12-15H,3,8-11H2,1-2H3,(H2,25,28,29);4-7,10-14H,3,8-9H2,1-2H3,(H,26,29)(H2,24,27,28);2-9,12-13,28H,1,10-11H2,(H2,23,24,25);1,3-8,11-13,28H,2,9-10H2,(H2,23,24,25);3-6,9-12H,2,7-8H2,1H3,(H,23,25)(H2,22,26,27).

What are the key properties of 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(propan-2-ylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(propan-2-ylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 2058.33 g/mol, XLogP of 17.95, 27 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(propan-2-ylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 161490327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).