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

C14H18N4O4 — CID 95734457

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

1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone (PubChem CID 95734457) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
• PubChem CID: 95734457
• Molecular Formula: C14H18N4O4
• Molecular Weight: 306.32 g/mol
• Exact Mass: 306.13
• IUPAC Name: 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
• SMILES: Cc1cc(OCC(=O)N2CCC[C@@H](c3noc(C)n3)C2)no1
• InChI: InChI=1S/C14H18N4O4/c1-9-6-12(16-21-9)20-8-13(19)18-5-3-4-11(7-18)14-15-10(2)22-17-14/h6,11H,3-5,7-8H2,1-2H3/t11-/m1/s1
• InChIKey: NURAJQCVASXVFN-LLVKDONJSA-N
• XLogP: 1.46
• TPSA: 94.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.32
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone (CID 95734457) is 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone.

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

The canonical SMILES for 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone is Cc1cc(OCC(=O)N2CCC[C@@H](c3noc(C)n3)C2)no1.

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

The InChIKey is NURAJQCVASXVFN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-9-6-12(16-21-9)20-8-13(19)18-5-3-4-11(7-18)14-15-10(2)22-17-14/h6,11H,3-5,7-8H2,1-2H3/t11-/m1/s1.

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

1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone has a molecular weight of 306.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone is sourced from PubChem (CID 95734457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).