dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate

C12H11NO6 — CID 102953751

IUPACdimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(-c2coc(C)c2)oc1C(=O)OC
InChIInChI=1S/C12H11NO6/c1-6-4-7(5-18-6)10-13-8(11(14)16-2)9(19-10)12(15)17-3/h4-5H,1-3H3
InChIKeyIITROJOGBXHMAE-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.82
Rot. Bonds3

About dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate

dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate (PubChem CID 102953751) has the molecular formula C12H11NO6 and a molecular weight of 265.22 g/mol. Its IUPAC name is dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate
PubChem CID102953751
Molecular FormulaC12H11NO6
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Namedimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(-c2coc(C)c2)oc1C(=O)OC
InChIInChI=1S/C12H11NO6/c1-6-4-7(5-18-6)10-13-8(11(14)16-2)9(19-10)12(15)17-3/h4-5H,1-3H3
InChIKeyIITROJOGBXHMAE-UHFFFAOYSA-N
XLogP1.82
TPSA91.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 2-(3,4-dichlorophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953675
dimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate
CID 102953712
dimethyl 2-(3-bromo-4-methylphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953733
dimethyl 2-(4-bromo-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953735
dimethyl 2-(4-bromophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953674
methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate
CID 114822236
dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953608
dimethyl 2-(3-bromophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953612
dimethyl 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953652
ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate
CID 114823849
dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate
CID 104865012
dimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953679

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate (CID 102953751) is dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate is COC(=O)c1nc(-c2coc(C)c2)oc1C(=O)OC.
What is the InChIKey of dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate?
The InChIKey is IITROJOGBXHMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO6/c1-6-4-7(5-18-6)10-13-8(11(14)16-2)9(19-10)12(15)17-3/h4-5H,1-3H3.
What are the key properties of dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate?
dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate has a molecular weight of 265.22 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 102953751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).