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

C10H11NO3S — CID 2740306

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylic acid
SMILESCC1(C)COC(c2sccc2C(=O)O)=N1
InChIInChI=1S/C10H11NO3S/c1-10(2)5-14-8(11-10)7-6(9(12)13)3-4-15-7/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyWQUWXRARBSLVDK-UHFFFAOYSA-N
MW225.27 g/mol
LogP2.00
Rot. Bonds2

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

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylic acid (PubChem CID 2740306) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylic acid
PubChem CID2740306
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylic acid
SMILESCC1(C)COC(c2sccc2C(=O)O)=N1
InChIInChI=1S/C10H11NO3S/c1-10(2)5-14-8(11-10)7-6(9(12)13)3-4-15-7/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyWQUWXRARBSLVDK-UHFFFAOYSA-N
XLogP2.00
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylic acid (CID 2740306) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylic acid is CC1(C)COC(c2sccc2C(=O)O)=N1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylic acid?
The InChIKey is WQUWXRARBSLVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-10(2)5-14-8(11-10)7-6(9(12)13)3-4-15-7/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylic acid?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 2740306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).