ethyl 5-(furan-2-carbonyloxymethyl)-2-oxo-1,5-dihydroimidazole-4-carboxylate

C12H12N2O6 — CID 78386912

IUPACethyl 5-(furan-2-carbonyloxymethyl)-2-oxo-1,5-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)C1=NC(=O)NC1COC(=O)c1ccco1
InChIInChI=1S/C12H12N2O6/c1-2-18-11(16)9-7(13-12(17)14-9)6-20-10(15)8-4-3-5-19-8/h3-5,7H,2,6H2,1H3,(H,13,17)
InChIKeyDQUOIMWAMMWLEJ-UHFFFAOYSA-N
MW280.24 g/mol
LogP0.53
Rot. Bonds5

About ethyl 5-(furan-2-carbonyloxymethyl)-2-oxo-1,5-dihydroimidazole-4-carboxylate

ethyl 5-(furan-2-carbonyloxymethyl)-2-oxo-1,5-dihydroimidazole-4-carboxylate (PubChem CID 78386912) has the molecular formula C12H12N2O6 and a molecular weight of 280.24 g/mol. Its IUPAC name is ethyl 5-(furan-2-carbonyloxymethyl)-2-oxo-1,5-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(furan-2-carbonyloxymethyl)-2-oxo-1,5-dihydroimidazole-4-carboxylate
PubChem CID78386912
Molecular FormulaC12H12N2O6
Molecular Weight280.24 g/mol
Exact Mass280.07
IUPAC Nameethyl 5-(furan-2-carbonyloxymethyl)-2-oxo-1,5-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)C1=NC(=O)NC1COC(=O)c1ccco1
InChIInChI=1S/C12H12N2O6/c1-2-18-11(16)9-7(13-12(17)14-9)6-20-10(15)8-4-3-5-19-8/h3-5,7H,2,6H2,1H3,(H,13,17)
InChIKeyDQUOIMWAMMWLEJ-UHFFFAOYSA-N
XLogP0.53
TPSA107.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(furan-2-carbonyloxymethyl)-2-oxo-1,5-dihydroimidazole-4-carboxylate?
The IUPAC name of ethyl 5-(furan-2-carbonyloxymethyl)-2-oxo-1,5-dihydroimidazole-4-carboxylate (CID 78386912) is ethyl 5-(furan-2-carbonyloxymethyl)-2-oxo-1,5-dihydroimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(furan-2-carbonyloxymethyl)-2-oxo-1,5-dihydroimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-(furan-2-carbonyloxymethyl)-2-oxo-1,5-dihydroimidazole-4-carboxylate is CCOC(=O)C1=NC(=O)NC1COC(=O)c1ccco1.
What is the InChIKey of ethyl 5-(furan-2-carbonyloxymethyl)-2-oxo-1,5-dihydroimidazole-4-carboxylate?
The InChIKey is DQUOIMWAMMWLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O6/c1-2-18-11(16)9-7(13-12(17)14-9)6-20-10(15)8-4-3-5-19-8/h3-5,7H,2,6H2,1H3,(H,13,17).
What are the key properties of ethyl 5-(furan-2-carbonyloxymethyl)-2-oxo-1,5-dihydroimidazole-4-carboxylate?
ethyl 5-(furan-2-carbonyloxymethyl)-2-oxo-1,5-dihydroimidazole-4-carboxylate has a molecular weight of 280.24 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(furan-2-carbonyloxymethyl)-2-oxo-1,5-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 78386912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).