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

C11H8BrNO6 — CID 102953719

IUPACdimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(-c2ccc(Br)o2)oc1C(=O)OC
InChIInChI=1S/C11H8BrNO6/c1-16-10(14)7-8(11(15)17-2)19-9(13-7)5-3-4-6(12)18-5/h3-4H,1-2H3
InChIKeyPUSTUVSDOHPGIV-UHFFFAOYSA-N
MW330.09 g/mol
LogP2.27
Rot. Bonds3

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

dimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate (PubChem CID 102953719) has the molecular formula C11H8BrNO6 and a molecular weight of 330.09 g/mol. Its IUPAC name is dimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate
PubChem CID102953719
Molecular FormulaC11H8BrNO6
Molecular Weight330.09 g/mol
Exact Mass328.95
IUPAC Namedimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(-c2ccc(Br)o2)oc1C(=O)OC
InChIInChI=1S/C11H8BrNO6/c1-16-10(14)7-8(11(15)17-2)19-9(13-7)5-3-4-6(12)18-5/h3-4H,1-2H3
InChIKeyPUSTUVSDOHPGIV-UHFFFAOYSA-N
XLogP2.27
TPSA91.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.09
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate (CID 102953719) is dimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate is COC(=O)c1nc(-c2ccc(Br)o2)oc1C(=O)OC.
What is the InChIKey of dimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate?
The InChIKey is PUSTUVSDOHPGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO6/c1-16-10(14)7-8(11(15)17-2)19-9(13-7)5-3-4-6(12)18-5/h3-4H,1-2H3.
What are the key properties of dimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate?
dimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate has a molecular weight of 330.09 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 102953719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).