dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate

C13H13NO6 — CID 102953727

IUPACdimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(CCc2ccco2)oc1C(=O)OC
InChIInChI=1S/C13H13NO6/c1-17-12(15)10-11(13(16)18-2)20-9(14-10)6-5-8-4-3-7-19-8/h3-4,7H,5-6H2,1-2H3
InChIKeyPRESLGNQLVCQTF-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.63
Rot. Bonds5

About dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate

dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate (PubChem CID 102953727) has the molecular formula C13H13NO6 and a molecular weight of 279.25 g/mol. Its IUPAC name is dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate
PubChem CID102953727
Molecular FormulaC13H13NO6
Molecular Weight279.25 g/mol
Exact Mass279.07
IUPAC Namedimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(CCc2ccco2)oc1C(=O)OC
InChIInChI=1S/C13H13NO6/c1-17-12(15)10-11(13(16)18-2)20-9(14-10)6-5-8-4-3-7-19-8/h3-4,7H,5-6H2,1-2H3
InChIKeyPRESLGNQLVCQTF-UHFFFAOYSA-N
XLogP1.63
TPSA91.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid
CID 102953949
methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 112618976
4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid
CID 104842494
methyl 2-[2-(furan-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306858
dimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953731
dimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate
CID 103162282
dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate
CID 104865012
methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate
CID 82894780
dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate
CID 121005993
methyl 2-heptyl-5-phenyl-1,3-oxazole-4-carboxylate
CID 15646209
methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate
CID 115461693
dimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953601

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate (CID 102953727) is dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate is COC(=O)c1nc(CCc2ccco2)oc1C(=O)OC.
What is the InChIKey of dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate?
The InChIKey is PRESLGNQLVCQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO6/c1-17-12(15)10-11(13(16)18-2)20-9(14-10)6-5-8-4-3-7-19-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate?
dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate has a molecular weight of 279.25 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 102953727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).