1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol

C21H24N6O2 — CID 56849428

About 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol

1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol (PubChem CID 56849428) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
• PubChem CID: 56849428
• Molecular Formula: C21H24N6O2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.20
• IUPAC Name: 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
• SMILES: Nc1ncc(-c2ccc(C3(c4noc(N5CCC(O)CC5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C21H24N6O2/c22-19-23-12-15(13-24-19)14-2-4-16(5-3-14)21(8-1-9-21)18-25-20(29-26-18)27-10-6-17(28)7-11-27/h2-5,12-13,17,28H,1,6-11H2,(H2,22,23,24)
• InChIKey: JJVKVATVGFBOAC-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 114.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?

The IUPAC name of 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol (CID 56849428) is 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol.

What is the SMILES notation for 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?

The canonical SMILES for 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol is Nc1ncc(-c2ccc(C3(c4noc(N5CCC(O)CC5)n4)CCC3)cc2)cn1.

What is the InChIKey of 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?

The InChIKey is JJVKVATVGFBOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c22-19-23-12-15(13-24-19)14-2-4-16(5-3-14)21(8-1-9-21)18-25-20(29-26-18)27-10-6-17(28)7-11-27/h2-5,12-13,17,28H,1,6-11H2,(H2,22,23,24).

What are the key properties of 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?

1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol has a molecular weight of 392.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 56849428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).