4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid

C14H20N2O5 — CID 114427323

About 4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid

4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid (PubChem CID 114427323) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid
• PubChem CID: 114427323
• Molecular Formula: C14H20N2O5
• Molecular Weight: 296.32 g/mol
• Exact Mass: 296.14
• IUPAC Name: 4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid
• SMILES: CCC1CCN(C(=O)COc2cc(C)on2)C(C(=O)O)C1
• InChI: InChI=1S/C14H20N2O5/c1-3-10-4-5-16(11(7-10)14(18)19)13(17)8-20-12-6-9(2)21-15-12/h6,10-11H,3-5,7-8H2,1-2H3,(H,18,19)
• InChIKey: ORVCTCCYYJQANX-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 92.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.32
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid?

The IUPAC name of 4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid (CID 114427323) is 4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid.

What is the SMILES notation for 4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid?

The canonical SMILES for 4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid is CCC1CCN(C(=O)COc2cc(C)on2)C(C(=O)O)C1.

What is the InChIKey of 4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid?

The InChIKey is ORVCTCCYYJQANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-3-10-4-5-16(11(7-10)14(18)19)13(17)8-20-12-6-9(2)21-15-12/h6,10-11H,3-5,7-8H2,1-2H3,(H,18,19).

What are the key properties of 4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid?

4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114427323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).