2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid

C10H15NO5 — CID 114373850

IUPAC2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
SMILESCCOCCc1nc(COC)c(C(=O)O)o1
InChIInChI=1S/C10H15NO5/c1-3-15-5-4-8-11-7(6-14-2)9(16-8)10(12)13/h3-6H2,1-2H3,(H,12,13)
InChIKeyNSNJEUVLXGEPQF-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.10
Rot. Bonds7

About 2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid

2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114373850) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID114373850
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
SMILESCCOCCc1nc(COC)c(C(=O)O)o1
InChIInChI=1S/C10H15NO5/c1-3-15-5-4-8-11-7(6-14-2)9(16-8)10(12)13/h3-6H2,1-2H3,(H,12,13)
InChIKeyNSNJEUVLXGEPQF-UHFFFAOYSA-N
XLogP1.10
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid (CID 114373850) is 2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid is CCOCCc1nc(COC)c(C(=O)O)o1.
What is the InChIKey of 2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is NSNJEUVLXGEPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-3-15-5-4-8-11-7(6-14-2)9(16-8)10(12)13/h3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114373850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).