Ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate

C₁₁H₁₅NO₄ — CID 154791593

About Ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate

Ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate (PubChem CID 154791593) has the molecular formula C₁₁H₁₅NO₄ and a molecular weight of 225.24 g/mol. Its IUPAC name is ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

• Compound Name: Ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate
• PubChem CID: 154791593
• Molecular Formula: C₁₁H₁₅NO₄
• Molecular Weight: 225.24 g/mol
• Exact Mass: 225.10
• IUPAC Name: ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate
• SMILES: CCOC(=O)c1cc(C2CCOCC2)on1
• InChI: InChI=1S/C11H15NO4/c1-2-15-11(13)9-7-10(16-12-9)8-3-5-14-6-4-8/h7-8H,2-6H2,1H3
• InChIKey: IEOVKCBNUIXAEL-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 61.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.24
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate?

The IUPAC name of Ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate (CID 154791593) is ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate.

What is the SMILES notation for Ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate?

The canonical SMILES for Ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(C2CCOCC2)on1.

What is the InChIKey of Ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate?

The InChIKey is IEOVKCBNUIXAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-15-11(13)9-7-10(16-12-9)8-3-5-14-6-4-8/h7-8H,2-6H2,1H3.

What are the key properties of Ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate?

Ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 225.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 154791593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154791593 — identifiers, structure, computed properties (public domain)

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