1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone

C22H30N4O3 — CID 110135904

About 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone

1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 110135904) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

• Compound Name: 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
• PubChem CID: 110135904
• Molecular Formula: C22H30N4O3
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.23
• IUPAC Name: 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
• SMILES: CCc1onc(C)c1-c1cccc(C2CCN(C(=O)CN3CCOCC3)CC2)n1
• InChI: InChI=1S/C22H30N4O3/c1-3-20-22(16(2)24-29-20)19-6-4-5-18(23-19)17-7-9-26(10-8-17)21(27)15-25-11-13-28-14-12-25/h4-6,17H,3,7-15H2,1-2H3
• InChIKey: ZOAOWLDUNPIUTI-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 71.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone?

The IUPAC name of 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 110135904) is 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone.

What is the SMILES notation for 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone?

The canonical SMILES for 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone is CCc1onc(C)c1-c1cccc(C2CCN(C(=O)CN3CCOCC3)CC2)n1.

What is the InChIKey of 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone?

The InChIKey is ZOAOWLDUNPIUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-3-20-22(16(2)24-29-20)19-6-4-5-18(23-19)17-7-9-26(10-8-17)21(27)15-25-11-13-28-14-12-25/h4-6,17H,3,7-15H2,1-2H3.

What are the key properties of 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone?

1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 398.51 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 110135904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).