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

C8H11NO4 — CID 62589755

IUPAC2-(2-ethoxyethyl)-1,3-oxazole-4-carboxylic acid
SMILESCCOCCc1nc(C(=O)O)co1
InChIInChI=1S/C8H11NO4/c1-2-12-4-3-7-9-6(5-13-7)8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyFBCVRYFJEYOOTQ-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.95
Rot. Bonds5

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

2-(2-ethoxyethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 62589755) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID62589755
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name2-(2-ethoxyethyl)-1,3-oxazole-4-carboxylic acid
SMILESCCOCCc1nc(C(=O)O)co1
InChIInChI=1S/C8H11NO4/c1-2-12-4-3-7-9-6(5-13-7)8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyFBCVRYFJEYOOTQ-UHFFFAOYSA-N
XLogP0.95
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxyethyl)-1,3-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-ethoxyethyl)-1,3-oxazole-4-carboxylic acid (CID 62589755) is 2-(2-ethoxyethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxyethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-ethoxyethyl)-1,3-oxazole-4-carboxylic acid is CCOCCc1nc(C(=O)O)co1.
What is the InChIKey of 2-(2-ethoxyethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is FBCVRYFJEYOOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-12-4-3-7-9-6(5-13-7)8(10)11/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-(2-ethoxyethyl)-1,3-oxazole-4-carboxylic acid?
2-(2-ethoxyethyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62589755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).