ethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate

C11H13N3O3 — CID 113376944

IUPACethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-n2ccnc2CC)n1
InChIInChI=1S/C11H13N3O3/c1-3-9-12-5-6-14(9)11-13-8(7-17-11)10(15)16-4-2/h5-7H,3-4H2,1-2H3
InChIKeyXOLJVQLLOSNVHE-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.60
Rot. Bonds4

About ethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate

ethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate (PubChem CID 113376944) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is ethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate
PubChem CID113376944
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Nameethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-n2ccnc2CC)n1
InChIInChI=1S/C11H13N3O3/c1-3-9-12-5-6-14(9)11-13-8(7-17-11)10(15)16-4-2/h5-7H,3-4H2,1-2H3
InChIKeyXOLJVQLLOSNVHE-UHFFFAOYSA-N
XLogP1.60
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate (CID 113376944) is ethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(-n2ccnc2CC)n1.
What is the InChIKey of ethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is XOLJVQLLOSNVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-3-9-12-5-6-14(9)11-13-8(7-17-11)10(15)16-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate?
ethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethylimidazol-1-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113376944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).