2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

C20H26N2O4 — CID 125009758

About 2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 125009758) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 125009758
• Molecular Formula: C20H26N2O4
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.19
• IUPAC Name: 2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
• SMILES: CCOCC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(OC)cc3)o2)C1
• InChI: InChI=1S/C20H26N2O4/c1-3-25-14-19(23)22-10-4-5-16(13-22)20-21-12-18(26-20)11-15-6-8-17(24-2)9-7-15/h6-9,12,16H,3-5,10-11,13-14H2,1-2H3/t16-/m1/s1
• InChIKey: VEPHPPQKIGTNQR-MRXNPFEDSA-N
• XLogP: 3.02
• TPSA: 64.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 125009758) is 2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is CCOCC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(OC)cc3)o2)C1.

What is the InChIKey of 2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The InChIKey is VEPHPPQKIGTNQR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-25-14-19(23)22-10-4-5-16(13-22)20-21-12-18(26-20)11-15-6-8-17(24-2)9-7-15/h6-9,12,16H,3-5,10-11,13-14H2,1-2H3/t16-/m1/s1.

What are the key properties of 2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 358.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-1-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 125009758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).