Methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate

Name: Methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₈N₂O₄ — CID 167771922

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate

SMILESCOC(=O)c1cnoc1CN1CCOCC2(CC2)C1

InChIInChI=1S/C13H18N2O4/c1-17-12(16)10-6-14-19-11(10)7-15-4-5-18-9-13(8-15)2-3-13/h6H,2-5,7-9H2,1H3

InChIKeyXJEWWYUPCCJTGJ-UHFFFAOYSA-N

MW266.30 g/mol

LogP1.07

Rot. Bonds3

About Methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate

Methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate (PubChem CID 167771922) has the molecular formula C₁₃H₁₈N₂O₄ and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name	Methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate
PubChem CID	167771922
Molecular Formula	C₁₃H₁₈N₂O₄
Molecular Weight	266.30 g/mol
Exact Mass	266.13
IUPAC Name	methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate
SMILES	COC(=O)c1cnoc1CN1CCOCC2(CC2)C1
InChI	InChI=1S/C13H18N2O4/c1-17-12(16)10-6-14-19-11(10)7-15-4-5-18-9-13(8-15)2-3-13/h6H,2-5,7-9H2,1H3
InChIKey	XJEWWYUPCCJTGJ-UHFFFAOYSA-N
XLogP	1.07
TPSA	64.80 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.30
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate?

The IUPAC name of Methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate (CID 167771922) is methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate.

What is the SMILES notation for Methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate?

The canonical SMILES for Methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate is COC(=O)c1cnoc1CN1CCOCC2(CC2)C1.

What is the InChIKey of Methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate?

The InChIKey is XJEWWYUPCCJTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-17-12(16)10-6-14-19-11(10)7-15-4-5-18-9-13(8-15)2-3-13/h6H,2-5,7-9H2,1H3.

What are the key properties of Methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate?

Methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 167771922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 167771922 — identifiers, structure, computed properties (public domain)

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