ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate

C12H19NO6 — CID 103401572

IUPACethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(OCCCOCCOC)n1
InChIInChI=1S/C12H19NO6/c1-3-17-11(14)10-9-19-12(13-10)18-6-4-5-16-8-7-15-2/h9H,3-8H2,1-2H3
InChIKeyCRSMTMGVMZGDFQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.28
Rot. Bonds10

About ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate

ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate (PubChem CID 103401572) has the molecular formula C12H19NO6 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate
PubChem CID103401572
Molecular FormulaC12H19NO6
Molecular Weight273.29 g/mol
Exact Mass273.12
IUPAC Nameethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(OCCCOCCOC)n1
InChIInChI=1S/C12H19NO6/c1-3-17-11(14)10-9-19-12(13-10)18-6-4-5-16-8-7-15-2/h9H,3-8H2,1-2H3
InChIKeyCRSMTMGVMZGDFQ-UHFFFAOYSA-N
XLogP1.28
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate 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 ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate (CID 103401572) is ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(OCCCOCCOC)n1.
What is the InChIKey of ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate?
The InChIKey is CRSMTMGVMZGDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6/c1-3-17-11(14)10-9-19-12(13-10)18-6-4-5-16-8-7-15-2/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate?
ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.28, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 103401572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).