5-[4-[2-[5-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;3-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-5-pyrazin-2-yl-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine

C91H99N23O5 — CID 160517835

About 5-[4-[2-[5-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;3-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-5-pyrazin-2-yl-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine

5-[4-[2-[5-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;3-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-5-pyrazin-2-yl-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine (PubChem CID 160517835) has the molecular formula C91H99N23O5 and a molecular weight of 1594.95 g/mol. Its IUPAC name is 5-[4-[2-[5-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;3-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-5-pyrazin-2-yl-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[4-[2-[5-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;3-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-5-pyrazin-2-yl-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine
• PubChem CID: 160517835
• Molecular Formula: C91H99N23O5
• Molecular Weight: 1594.95 g/mol
• Exact Mass: 1593.82
• IUPAC Name: 5-[4-[2-[5-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;3-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-5-pyrazin-2-yl-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine
• SMILES: CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2ccc(N)nc2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2ccccc2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(C2CCN(C)CC2)n1.COc1cncc(-c2ccc(C(C)(c3noc(-c4cnccn4)n3)C(C)C)cc2)c1
• InChI: InChI=1S/C23H30N6O.C23H23N5O2.C23H23N5O.C22H23N7O/c1-15(2)23(3,21-27-20(30-28-21)17-9-11-29(4)12-10-17)19-7-5-16(6-8-19)18-13-25-22(24)26-14-18;1-15(2)23(3,22-27-21(30-28-22)20-14-24-9-10-26-20)18-7-5-16(6-8-18)17-11-19(29-4)13-25-12-17;1-15(2)23(3,21-27-20(29-28-21)17-7-5-4-6-8-17)19-11-9-16(10-12-19)18-13-25-22(24)26-14-18;1-13(2)22(3,20-28-19(30-29-20)15-6-9-18(23)25-10-15)17-7-4-14(5-8-17)16-11-26-21(24)27-12-16/h5-8,13-15,17H,9-12H2,1-4H3,(H2,24,25,26);5-15H,1-4H3;4-15H,1-3H3,(H2,24,25,26);4-13H,1-3H3,(H2,23,25)(H2,24,26,27)
• InChIKey: QTWSAVSJIKEOQG-UHFFFAOYSA-N
• XLogP: 16.89
• TPSA: 401.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1594.95
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[5-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;3-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-5-pyrazin-2-yl-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine?

The IUPAC name of 5-[4-[2-[5-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;3-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-5-pyrazin-2-yl-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine (CID 160517835) is 5-[4-[2-[5-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;3-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-5-pyrazin-2-yl-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 5-[4-[2-[5-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;3-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-5-pyrazin-2-yl-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 5-[4-[2-[5-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;3-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-5-pyrazin-2-yl-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine is CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2ccc(N)nc2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2ccccc2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(C2CCN(C)CC2)n1.COc1cncc(-c2ccc(C(C)(c3noc(-c4cnccn4)n3)C(C)C)cc2)c1.

What is the InChIKey of 5-[4-[2-[5-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;3-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-5-pyrazin-2-yl-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine?

The InChIKey is QTWSAVSJIKEOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O.C23H23N5O2.C23H23N5O.C22H23N7O/c1-15(2)23(3,21-27-20(30-28-21)17-9-11-29(4)12-10-17)19-7-5-16(6-8-19)18-13-25-22(24)26-14-18;1-15(2)23(3,22-27-21(30-28-22)20-14-24-9-10-26-20)18-7-5-16(6-8-18)17-11-19(29-4)13-25-12-17;1-15(2)23(3,21-27-20(29-28-21)17-7-5-4-6-8-17)19-11-9-16(10-12-19)18-13-25-22(24)26-14-18;1-13(2)22(3,20-28-19(30-29-20)15-6-9-18(23)25-10-15)17-7-4-14(5-8-17)16-11-26-21(24)27-12-16/h5-8,13-15,17H,9-12H2,1-4H3,(H2,24,25,26);5-15H,1-4H3;4-15H,1-3H3,(H2,24,25,26);4-13H,1-3H3,(H2,23,25)(H2,24,26,27).

What are the key properties of 5-[4-[2-[5-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;3-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-5-pyrazin-2-yl-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine?

5-[4-[2-[5-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;3-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-5-pyrazin-2-yl-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine has a molecular weight of 1594.95 g/mol, XLogP of 16.89, 21 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-[5-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;3-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-5-pyrazin-2-yl-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 160517835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).