3-(2-ethoxyethyl)-1,2-oxazole

C7H11NO2 — CID 67275455

IUPAC3-(2-ethoxyethyl)-1,2-oxazole
SMILESCCOCCc1ccon1
InChIInChI=1S/C7H11NO2/c1-2-9-5-3-7-4-6-10-8-7/h4,6H,2-3,5H2,1H3
InChIKeyMUMGANBRKGUZBZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.25
Rot. Bonds4

About 3-(2-ethoxyethyl)-1,2-oxazole

3-(2-ethoxyethyl)-1,2-oxazole (PubChem CID 67275455) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-1,2-oxazole
PubChem CID67275455
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-(2-ethoxyethyl)-1,2-oxazole
SMILESCCOCCc1ccon1
InChIInChI=1S/C7H11NO2/c1-2-9-5-3-7-4-6-10-8-7/h4,6H,2-3,5H2,1H3
InChIKeyMUMGANBRKGUZBZ-UHFFFAOYSA-N
XLogP1.25
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-ethoxyethyl)-1,2-oxazole 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 3-(2-ethoxyethyl)-1,2-oxazole?
The IUPAC name of 3-(2-ethoxyethyl)-1,2-oxazole (CID 67275455) is 3-(2-ethoxyethyl)-1,2-oxazole.
What is the SMILES notation for 3-(2-ethoxyethyl)-1,2-oxazole?
The canonical SMILES for 3-(2-ethoxyethyl)-1,2-oxazole is CCOCCc1ccon1.
What is the InChIKey of 3-(2-ethoxyethyl)-1,2-oxazole?
The InChIKey is MUMGANBRKGUZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-9-5-3-7-4-6-10-8-7/h4,6H,2-3,5H2,1H3.
What are the key properties of 3-(2-ethoxyethyl)-1,2-oxazole?
3-(2-ethoxyethyl)-1,2-oxazole has a molecular weight of 141.17 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-1,2-oxazole is sourced from PubChem (CID 67275455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).