ethyl 2-prop-2-enyl-2H-1,3-oxazole-3-carboxylate

C9H13NO3 — CID 15637386

IUPACethyl 2-prop-2-enyl-2H-1,3-oxazole-3-carboxylate
SMILESC=CCC1OC=CN1C(=O)OCC
InChIInChI=1S/C9H13NO3/c1-3-5-8-10(6-7-13-8)9(11)12-4-2/h3,6-8H,1,4-5H2,2H3
InChIKeyFCYOAGITDZQJFC-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.85
Rot. Bonds3

About ethyl 2-prop-2-enyl-2H-1,3-oxazole-3-carboxylate

ethyl 2-prop-2-enyl-2H-1,3-oxazole-3-carboxylate (PubChem CID 15637386) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethyl 2-prop-2-enyl-2H-1,3-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-prop-2-enyl-2H-1,3-oxazole-3-carboxylate
PubChem CID15637386
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Nameethyl 2-prop-2-enyl-2H-1,3-oxazole-3-carboxylate
SMILESC=CCC1OC=CN1C(=O)OCC
InChIInChI=1S/C9H13NO3/c1-3-5-8-10(6-7-13-8)9(11)12-4-2/h3,6-8H,1,4-5H2,2H3
InChIKeyFCYOAGITDZQJFC-UHFFFAOYSA-N
XLogP1.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-prop-2-enyl-2H-1,3-oxazole-3-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-prop-2-enyl-2H-1,3-oxazole-3-carboxylate?
The IUPAC name of ethyl 2-prop-2-enyl-2H-1,3-oxazole-3-carboxylate (CID 15637386) is ethyl 2-prop-2-enyl-2H-1,3-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 2-prop-2-enyl-2H-1,3-oxazole-3-carboxylate?
The canonical SMILES for ethyl 2-prop-2-enyl-2H-1,3-oxazole-3-carboxylate is C=CCC1OC=CN1C(=O)OCC.
What is the InChIKey of ethyl 2-prop-2-enyl-2H-1,3-oxazole-3-carboxylate?
The InChIKey is FCYOAGITDZQJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-5-8-10(6-7-13-8)9(11)12-4-2/h3,6-8H,1,4-5H2,2H3.
What are the key properties of ethyl 2-prop-2-enyl-2H-1,3-oxazole-3-carboxylate?
ethyl 2-prop-2-enyl-2H-1,3-oxazole-3-carboxylate has a molecular weight of 183.21 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-prop-2-enyl-2H-1,3-oxazole-3-carboxylate is sourced from PubChem (CID 15637386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).