[(2S)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;methane;5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C120H116N32O7 — CID 158197725

About [(2S)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;methane;5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

[(2S)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;methane;5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 158197725) has the molecular formula C120H116N32O7 and a molecular weight of 2118.46 g/mol. Its IUPAC name is [(2S)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;methane;5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: [(2S)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;methane;5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 158197725
• Molecular Formula: C120H116N32O7
• Molecular Weight: 2118.46 g/mol
• Exact Mass: 2116.97
• IUPAC Name: [(2S)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;methane;5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: C.C.N#Cc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cc1.N#Cc1cccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)c1.Nc1ccc(-c2ccc(C3(c4noc(-c5cnc(N6CCC[C@@H]6CO)cn5)n4)CCC3)cc2)cc1.Nc1ccc(-c2ccc(C3(c4noc(-c5cnc(N6CCC[C@H]6CO)cn5)n4)CCC3)cc2)cc1.Nc1ncc(-c2ccc(C3(c4noc(-c5cn[nH]n5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/2C27H28N6O2.2C23H18N6O.C18H16N8O.2CH4/c2*28-21-10-6-19(7-11-21)18-4-8-20(9-5-18)27(12-2-13-27)26-31-25(35-32-26)23-15-30-24(16-29-23)33-14-1-3-22(33)17-34;24-12-15-2-4-17(5-3-15)20-28-21(29-30-20)23(10-1-11-23)19-8-6-16(7-9-19)18-13-26-22(25)27-14-18;24-12-15-3-1-4-17(11-15)20-28-21(29-30-20)23(9-2-10-23)19-7-5-16(6-8-19)18-13-26-22(25)27-14-18;19-17-20-8-12(9-21-17)11-2-4-13(5-3-11)18(6-1-7-18)16-23-15(27-25-16)14-10-22-26-24-14;;/h2*4-11,15-16,22,34H,1-3,12-14,17,28H2;2-9,13-14H,1,10-11H2,(H2,25,26,27);1,3-8,11,13-14H,2,9-10H2,(H2,25,26,27);2-5,8-10H,1,6-7H2,(H2,19,20,21)(H,22,24,26);2*1H4/t2*22-;;;;;/m10...../s1
• InChIKey: GANSOPYWDZTACC-ZDSWSQQISA-N
• XLogP: 20.28
• TPSA: 589.69 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2118.46
LogP ≤ 5	20.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;methane;5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The IUPAC name of [(2S)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;methane;5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 158197725) is [(2S)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;methane;5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for [(2S)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;methane;5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for [(2S)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;methane;5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is C.C.N#Cc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cc1.N#Cc1cccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)c1.Nc1ccc(-c2ccc(C3(c4noc(-c5cnc(N6CCC[C@@H]6CO)cn5)n4)CCC3)cc2)cc1.Nc1ccc(-c2ccc(C3(c4noc(-c5cnc(N6CCC[C@H]6CO)cn5)n4)CCC3)cc2)cc1.Nc1ncc(-c2ccc(C3(c4noc(-c5cn[nH]n5)n4)CCC3)cc2)cn1.

What is the InChIKey of [(2S)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;methane;5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is GANSOPYWDZTACC-ZDSWSQQISA-N. The full InChI is InChI=1S/2C27H28N6O2.2C23H18N6O.C18H16N8O.2CH4/c2*28-21-10-6-19(7-11-21)18-4-8-20(9-5-18)27(12-2-13-27)26-31-25(35-32-26)23-15-30-24(16-29-23)33-14-1-3-22(33)17-34;24-12-15-2-4-17(5-3-15)20-28-21(29-30-20)23(10-1-11-23)19-8-6-16(7-9-19)18-13-26-22(25)27-14-18;24-12-15-3-1-4-17(11-15)20-28-21(29-30-20)23(9-2-10-23)19-7-5-16(6-8-19)18-13-26-22(25)27-14-18;19-17-20-8-12(9-21-17)11-2-4-13(5-3-11)18(6-1-7-18)16-23-15(27-25-16)14-10-22-26-24-14;;/h2*4-11,15-16,22,34H,1-3,12-14,17,28H2;2-9,13-14H,1,10-11H2,(H2,25,26,27);1,3-8,11,13-14H,2,9-10H2,(H2,25,26,27);2-5,8-10H,1,6-7H2,(H2,19,20,21)(H,22,24,26);2*1H4/t2*22-;;;;;/m10...../s1.

What are the key properties of [(2S)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;methane;5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

[(2S)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;methane;5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 2118.46 g/mol, XLogP of 20.28, 24 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[5-[3-[1-[4-(4-aminophenyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile;methane;5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158197725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).