2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid

C11H9NO6 — CID 102953949

IUPAC2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid
SMILESO=C(O)c1nc(CCc2ccco2)oc1C(=O)O
InChIInChI=1S/C11H9NO6/c13-10(14)8-9(11(15)16)18-7(12-8)4-3-6-2-1-5-17-6/h1-2,5H,3-4H2,(H,13,14)(H,15,16)
InChIKeyZQKMZWJWBWCHEN-UHFFFAOYSA-N
MW251.19 g/mol
LogP1.45
Rot. Bonds5

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

2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid (PubChem CID 102953949) has the molecular formula C11H9NO6 and a molecular weight of 251.19 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid
PubChem CID102953949
Molecular FormulaC11H9NO6
Molecular Weight251.19 g/mol
Exact Mass251.04
IUPAC Name2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid
SMILESO=C(O)c1nc(CCc2ccco2)oc1C(=O)O
InChIInChI=1S/C11H9NO6/c13-10(14)8-9(11(15)16)18-7(12-8)4-3-6-2-1-5-17-6/h1-2,5H,3-4H2,(H,13,14)(H,15,16)
InChIKeyZQKMZWJWBWCHEN-UHFFFAOYSA-N
XLogP1.45
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid
CID 104842494
dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate
CID 102953727
2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid
CID 82402388
methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 112618976
3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 54955037
2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 80569145
2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid
CID 123545327
5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid
CID 103246849
3-(furan-2-ylmethylsulfanylmethyl)pyridine-2-carboxylic acid
CID 55182251
2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582740
2-[2-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxylic acid
CID 107470275
4-[[2-(furan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103242182

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid?
The IUPAC name of 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid (CID 102953949) is 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid?
The canonical SMILES for 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid is O=C(O)c1nc(CCc2ccco2)oc1C(=O)O.
What is the InChIKey of 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid?
The InChIKey is ZQKMZWJWBWCHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO6/c13-10(14)8-9(11(15)16)18-7(12-8)4-3-6-2-1-5-17-6/h1-2,5H,3-4H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid?
2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid has a molecular weight of 251.19 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid is sourced from PubChem (CID 102953949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).