5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid

C9H7NO3S — CID 3019367

IUPAC5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2cccs2)c1C(=O)O
InChIInChI=1S/C9H7NO3S/c1-5-7(9(11)12)8(10-13-5)6-3-2-4-14-6/h2-4H,1H3,(H,11,12)
InChIKeyQSTCJVAUTDWHRS-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.41
Rot. Bonds2

About 5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid

5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 3019367) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
PubChem CID3019367
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2cccs2)c1C(=O)O
InChIInChI=1S/C9H7NO3S/c1-5-7(9(11)12)8(10-13-5)6-3-2-4-14-6/h2-4H,1H3,(H,11,12)
InChIKeyQSTCJVAUTDWHRS-UHFFFAOYSA-N
XLogP2.41
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid (CID 3019367) is 5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid is Cc1onc(-c2cccs2)c1C(=O)O.
What is the InChIKey of 5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is QSTCJVAUTDWHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-5-7(9(11)12)8(10-13-5)6-3-2-4-14-6/h2-4H,1H3,(H,11,12).
What are the key properties of 5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid?
5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 3019367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).