ethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate

C10H13NO4 — CID 15128948

IUPACethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate
SMILESCCO/C=C/c1nc(C(=O)OCC)co1
InChIInChI=1S/C10H13NO4/c1-3-13-6-5-9-11-8(7-15-9)10(12)14-4-2/h5-7H,3-4H2,1-2H3/b6-5+
InChIKeyCWGLKZLSORDCFM-AATRIKPKSA-N
MW211.22 g/mol
LogP1.86
Rot. Bonds5

About ethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate

ethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate (PubChem CID 15128948) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate
PubChem CID15128948
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nameethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate
SMILESCCO/C=C/c1nc(C(=O)OCC)co1
InChIInChI=1S/C10H13NO4/c1-3-13-6-5-9-11-8(7-15-9)10(12)14-4-2/h5-7H,3-4H2,1-2H3/b6-5+
InChIKeyCWGLKZLSORDCFM-AATRIKPKSA-N
XLogP1.86
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate (CID 15128948) is ethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate is CCO/C=C/c1nc(C(=O)OCC)co1.
What is the InChIKey of ethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is CWGLKZLSORDCFM-AATRIKPKSA-N. The full InChI is InChI=1S/C10H13NO4/c1-3-13-6-5-9-11-8(7-15-9)10(12)14-4-2/h5-7H,3-4H2,1-2H3/b6-5+.
What are the key properties of ethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate?
ethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 15128948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).