4-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]piperazin-2-one;5-[4-[1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C95H92N28O9S — CID 159061400

About 4-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]piperazin-2-one;5-[4-[1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

4-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]piperazin-2-one;5-[4-[1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 159061400) has the molecular formula C95H92N28O9S and a molecular weight of 1802.03 g/mol. Its IUPAC name is 4-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]piperazin-2-one;5-[4-[1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]piperazin-2-one;5-[4-[1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 159061400
• Molecular Formula: C95H92N28O9S
• Molecular Weight: 1802.03 g/mol
• Exact Mass: 1800.73
• IUPAC Name: 4-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]piperazin-2-one;5-[4-[1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: COc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cc1.COc1cccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)c1.CS(=O)(=O)N1CCN(c2cnc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cn2)CC1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnc(N6CCNC(=O)C6)cn5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C25H27N9O3S.C24H23N9O2.2C23H21N5O2/c1-38(35,36)34-11-9-33(10-12-34)21-16-27-20(15-28-21)22-31-23(32-37-22)25(7-2-8-25)19-5-3-17(4-6-19)18-13-29-24(26)30-14-18;25-23-29-10-16(11-30-23)15-2-4-17(5-3-15)24(6-1-7-24)22-31-21(35-32-22)18-12-28-19(13-27-18)33-9-8-26-20(34)14-33;1-29-19-9-5-16(6-10-19)20-27-21(28-30-20)23(11-2-12-23)18-7-3-15(4-8-18)17-13-25-22(24)26-14-17;1-29-19-5-2-4-16(12-19)20-27-21(28-30-20)23(10-3-11-23)18-8-6-15(7-9-18)17-13-25-22(24)26-14-17/h3-6,13-16H,2,7-12H2,1H3,(H2,26,29,30);2-5,10-13H,1,6-9,14H2,(H,26,34)(H2,25,29,30);3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26);2,4-9,12-14H,3,10-11H2,1H3,(H2,24,25,26)
• InChIKey: JYMYXZTWLQQXPM-UHFFFAOYSA-N
• XLogP: 12.60
• TPSA: 505.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1802.03
LogP ≤ 5	12.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]piperazin-2-one;5-[4-[1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The IUPAC name of 4-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]piperazin-2-one;5-[4-[1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 159061400) is 4-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]piperazin-2-one;5-[4-[1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 4-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]piperazin-2-one;5-[4-[1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 4-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]piperazin-2-one;5-[4-[1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is COc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cc1.COc1cccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)c1.CS(=O)(=O)N1CCN(c2cnc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cn2)CC1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnc(N6CCNC(=O)C6)cn5)n4)CCC3)cc2)cn1.

What is the InChIKey of 4-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]piperazin-2-one;5-[4-[1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is JYMYXZTWLQQXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O3S.C24H23N9O2.2C23H21N5O2/c1-38(35,36)34-11-9-33(10-12-34)21-16-27-20(15-28-21)22-31-23(32-37-22)25(7-2-8-25)19-5-3-17(4-6-19)18-13-29-24(26)30-14-18;25-23-29-10-16(11-30-23)15-2-4-17(5-3-15)24(6-1-7-24)22-31-21(35-32-22)18-12-28-19(13-27-18)33-9-8-26-20(34)14-33;1-29-19-9-5-16(6-10-19)20-27-21(28-30-20)23(11-2-12-23)18-7-3-15(4-8-18)17-13-25-22(24)26-14-17;1-29-19-5-2-4-16(12-19)20-27-21(28-30-20)23(10-3-11-23)18-8-6-15(7-9-18)17-13-25-22(24)26-14-17/h3-6,13-16H,2,7-12H2,1H3,(H2,26,29,30);2-5,10-13H,1,6-9,14H2,(H,26,34)(H2,25,29,30);3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26);2,4-9,12-14H,3,10-11H2,1H3,(H2,24,25,26).

What are the key properties of 4-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]piperazin-2-one;5-[4-[1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

4-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]piperazin-2-one;5-[4-[1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 1802.03 g/mol, XLogP of 12.60, 21 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]piperazin-2-one;5-[4-[1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159061400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).