5-[4-[1-[5-(1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;methyl (2R)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;methyl (2S)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;5-[4-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-piperidin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C128H129N31O9 — CID 159060179

About 5-[4-[1-[5-(1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;methyl (2R)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;methyl (2S)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;5-[4-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-piperidin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

5-[4-[1-[5-(1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;methyl (2R)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;methyl (2S)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;5-[4-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-piperidin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 159060179) has the molecular formula C128H129N31O9 and a molecular weight of 2245.65 g/mol. Its IUPAC name is 5-[4-[1-[5-(1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;methyl (2R)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;methyl (2S)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;5-[4-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-piperidin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[4-[1-[5-(1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;methyl (2R)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;methyl (2S)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;5-[4-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-piperidin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 159060179
• Molecular Formula: C128H129N31O9
• Molecular Weight: 2245.65 g/mol
• Exact Mass: 2244.06
• IUPAC Name: 5-[4-[1-[5-(1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;methyl (2R)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;methyl (2S)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;5-[4-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-piperidin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: COC(=O)[C@@H]1CC(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cc2)CCN1.COC(=O)[C@H]1CC(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cc2)CCN1.Cc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCCCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(C6CCNCC6)cc5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnc[nH]5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/2C29H30N6O3.C27H28N6O.C24H24N6O.C19H17N7O/c2*1-37-26(36)24-15-21(11-14-31-24)18-3-5-20(6-4-18)25-34-27(35-38-25)29(12-2-13-29)23-9-7-19(8-10-23)22-16-32-28(30)33-17-22;28-26-30-16-22(17-31-26)19-6-8-23(9-7-19)27(12-1-13-27)25-32-24(34-33-25)21-4-2-18(3-5-21)20-10-14-29-15-11-20;1-16-5-6-18(13-26-16)21-29-22(30-31-21)24(11-3-2-4-12-24)20-9-7-17(8-10-20)19-14-27-23(25)28-15-19;20-18-22-8-13(9-23-18)12-2-4-14(5-3-12)19(6-1-7-19)17-25-16(27-26-17)15-10-21-11-24-15/h2*3-10,16-17,21,24,31H,2,11-15H2,1H3,(H2,30,32,33);2-9,16-17,20,29H,1,10-15H2,(H2,28,30,31);5-10,13-15H,2-4,11-12H2,1H3,(H2,25,27,28);2-5,8-11H,1,6-7H2,(H,21,24)(H2,20,22,23)/t2*21?,24-;;;/m10.../s1
• InChIKey: JYJDMQMHYUJQHG-XVAVXMDISA-N
• XLogP: 20.92
• TPSA: 583.86 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2245.65
LogP ≤ 5	20.92
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[5-(1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;methyl (2R)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;methyl (2S)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;5-[4-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-piperidin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The IUPAC name of 5-[4-[1-[5-(1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;methyl (2R)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;methyl (2S)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;5-[4-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-piperidin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 159060179) is 5-[4-[1-[5-(1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;methyl (2R)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;methyl (2S)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;5-[4-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-piperidin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 5-[4-[1-[5-(1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;methyl (2R)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;methyl (2S)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;5-[4-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-piperidin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 5-[4-[1-[5-(1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;methyl (2R)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;methyl (2S)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;5-[4-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-piperidin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is COC(=O)[C@@H]1CC(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cc2)CCN1.COC(=O)[C@H]1CC(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cc2)CCN1.Cc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCCCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(C6CCNCC6)cc5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnc[nH]5)n4)CCC3)cc2)cn1.

What is the InChIKey of 5-[4-[1-[5-(1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;methyl (2R)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;methyl (2S)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;5-[4-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-piperidin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is JYJDMQMHYUJQHG-XVAVXMDISA-N. The full InChI is InChI=1S/2C29H30N6O3.C27H28N6O.C24H24N6O.C19H17N7O/c2*1-37-26(36)24-15-21(11-14-31-24)18-3-5-20(6-4-18)25-34-27(35-38-25)29(12-2-13-29)23-9-7-19(8-10-23)22-16-32-28(30)33-17-22;28-26-30-16-22(17-31-26)19-6-8-23(9-7-19)27(12-1-13-27)25-32-24(34-33-25)21-4-2-18(3-5-21)20-10-14-29-15-11-20;1-16-5-6-18(13-26-16)21-29-22(30-31-21)24(11-3-2-4-12-24)20-9-7-17(8-10-20)19-14-27-23(25)28-15-19;20-18-22-8-13(9-23-18)12-2-4-14(5-3-12)19(6-1-7-19)17-25-16(27-26-17)15-10-21-11-24-15/h2*3-10,16-17,21,24,31H,2,11-15H2,1H3,(H2,30,32,33);2-9,16-17,20,29H,1,10-15H2,(H2,28,30,31);5-10,13-15H,2-4,11-12H2,1H3,(H2,25,27,28);2-5,8-11H,1,6-7H2,(H,21,24)(H2,20,22,23)/t2*21?,24-;;;/m10.../s1.

What are the key properties of 5-[4-[1-[5-(1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;methyl (2R)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;methyl (2S)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;5-[4-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-piperidin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

5-[4-[1-[5-(1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;methyl (2R)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;methyl (2S)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;5-[4-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-piperidin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 2245.65 g/mol, XLogP of 20.92, 25 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[1-[5-(1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;methyl (2R)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;methyl (2S)-4-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-2-carboxylate;5-[4-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-piperidin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159060179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).