2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid

C11H11NO3S — CID 65238012

IUPAC2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1cc(-c2nc(C(=O)O)c(C)o2)sc1C
InChIInChI=1S/C11H11NO3S/c1-5-4-8(16-7(5)3)10-12-9(11(13)14)6(2)15-10/h4H,1-3H3,(H,13,14)
InChIKeyPDMHYMMVULUQLP-UHFFFAOYSA-N
MW237.28 g/mol
LogP3.03
Rot. Bonds2

About 2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid

2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 65238012) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID65238012
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1cc(-c2nc(C(=O)O)c(C)o2)sc1C
InChIInChI=1S/C11H11NO3S/c1-5-4-8(16-7(5)3)10-12-9(11(13)14)6(2)15-10/h4H,1-3H3,(H,13,14)
InChIKeyPDMHYMMVULUQLP-UHFFFAOYSA-N
XLogP3.03
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid (CID 65238012) is 2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid is Cc1cc(-c2nc(C(=O)O)c(C)o2)sc1C.
What is the InChIKey of 2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is PDMHYMMVULUQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-5-4-8(16-7(5)3)10-12-9(11(13)14)6(2)15-10/h4H,1-3H3,(H,13,14).
What are the key properties of 2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 65238012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).