ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate

C12H14N2O4 — CID 113377130

IUPACethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NC(C)c2ccco2)n1
InChIInChI=1S/C12H14N2O4/c1-3-16-11(15)9-7-18-12(14-9)13-8(2)10-5-4-6-17-10/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyZMMAARPYBAJRQE-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.62
Rot. Bonds5

About ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate

ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate (PubChem CID 113377130) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate
PubChem CID113377130
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Nameethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NC(C)c2ccco2)n1
InChIInChI=1S/C12H14N2O4/c1-3-16-11(15)9-7-18-12(14-9)13-8(2)10-5-4-6-17-10/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyZMMAARPYBAJRQE-UHFFFAOYSA-N
XLogP2.62
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate (CID 113377130) is ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(NC(C)c2ccco2)n1.
What is the InChIKey of ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate?
The InChIKey is ZMMAARPYBAJRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-3-16-11(15)9-7-18-12(14-9)13-8(2)10-5-4-6-17-10/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate?
ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate has a molecular weight of 250.25 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113377130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).