5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2,4-dicarboxylic acid

C11H11NO5S — CID 13495737

IUPAC5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2,4-dicarboxylic acid
SMILESCC1(C)COC(c2sc(C(=O)O)cc2C(=O)O)=N1
InChIInChI=1S/C11H11NO5S/c1-11(2)4-17-8(12-11)7-5(9(13)14)3-6(18-7)10(15)16/h3H,4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCPGMHGCEUVFBIZ-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.70
Rot. Bonds3

About 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2,4-dicarboxylic acid

5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2,4-dicarboxylic acid (PubChem CID 13495737) has the molecular formula C11H11NO5S and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2,4-dicarboxylic acid.

Molecular Properties

Compound Name5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2,4-dicarboxylic acid
PubChem CID13495737
Molecular FormulaC11H11NO5S
Molecular Weight269.28 g/mol
Exact Mass269.04
IUPAC Name5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2,4-dicarboxylic acid
SMILESCC1(C)COC(c2sc(C(=O)O)cc2C(=O)O)=N1
InChIInChI=1S/C11H11NO5S/c1-11(2)4-17-8(12-11)7-5(9(13)14)3-6(18-7)10(15)16/h3H,4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCPGMHGCEUVFBIZ-UHFFFAOYSA-N
XLogP1.70
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2,4-dicarboxylic acid?
The IUPAC name of 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2,4-dicarboxylic acid (CID 13495737) is 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2,4-dicarboxylic acid.
What is the SMILES notation for 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2,4-dicarboxylic acid?
The canonical SMILES for 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2,4-dicarboxylic acid is CC1(C)COC(c2sc(C(=O)O)cc2C(=O)O)=N1.
What is the InChIKey of 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2,4-dicarboxylic acid?
The InChIKey is CPGMHGCEUVFBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5S/c1-11(2)4-17-8(12-11)7-5(9(13)14)3-6(18-7)10(15)16/h3H,4H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2,4-dicarboxylic acid?
5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2,4-dicarboxylic acid has a molecular weight of 269.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2,4-dicarboxylic acid is sourced from PubChem (CID 13495737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).