1-[4-[[3-hydroxy-6-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone

C22H30N4O4 — CID 162878395

About 1-[4-[[3-hydroxy-6-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone

1-[4-[[3-hydroxy-6-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone (PubChem CID 162878395) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[4-[[3-hydroxy-6-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[[3-hydroxy-6-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone
• PubChem CID: 162878395
• Molecular Formula: C22H30N4O4
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.23
• IUPAC Name: 1-[4-[[3-hydroxy-6-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(NCC2OC(Cc3cc(-c4ccccn4)on3)CCC2O)CC1
• InChI: InChI=1S/C22H30N4O4/c1-15(27)26-10-7-16(8-11-26)24-14-22-20(28)6-5-18(29-22)12-17-13-21(30-25-17)19-4-2-3-9-23-19/h2-4,9,13,16,18,20,22,24,28H,5-8,10-12,14H2,1H3
• InChIKey: JJISBMAFJMCTOR-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 100.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-hydroxy-6-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-[[3-hydroxy-6-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone (CID 162878395) is 1-[4-[[3-hydroxy-6-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[[3-hydroxy-6-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-[[3-hydroxy-6-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCC2OC(Cc3cc(-c4ccccn4)on3)CCC2O)CC1.

What is the InChIKey of 1-[4-[[3-hydroxy-6-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone?

The InChIKey is JJISBMAFJMCTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-15(27)26-10-7-16(8-11-26)24-14-22-20(28)6-5-18(29-22)12-17-13-21(30-25-17)19-4-2-3-9-23-19/h2-4,9,13,16,18,20,22,24,28H,5-8,10-12,14H2,1H3.

What are the key properties of 1-[4-[[3-hydroxy-6-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone?

1-[4-[[3-hydroxy-6-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone has a molecular weight of 414.51 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[3-hydroxy-6-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 162878395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).