5-(5-methylthiophen-2-yl)-1,2-oxazole-4-carboxylic acid

C9H7NO3S — CID 75356058

IUPAC5-(5-methylthiophen-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1ccc(-c2oncc2C(=O)O)s1
InChIInChI=1S/C9H7NO3S/c1-5-2-3-7(14-5)8-6(9(11)12)4-10-13-8/h2-4H,1H3,(H,11,12)
InChIKeyIXVOLDGJHQQDBM-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.41
Rot. Bonds2

About 5-(5-methylthiophen-2-yl)-1,2-oxazole-4-carboxylic acid

5-(5-methylthiophen-2-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 75356058) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID75356058
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name5-(5-methylthiophen-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1ccc(-c2oncc2C(=O)O)s1
InChIInChI=1S/C9H7NO3S/c1-5-2-3-7(14-5)8-6(9(11)12)4-10-13-8/h2-4H,1H3,(H,11,12)
InChIKeyIXVOLDGJHQQDBM-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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Related Compounds

5-(5-Chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid
CID 71695554
5-Phenylisoxazole-4-carboxylic acid
CID 14787253
5-(Thiophen-2-yl)-1,2-oxazole-4-carboxylic acid
CID 22309076
5-(3,5-Dimethyl-isoxazol-4-ylmethyl)-thiophene-2-carboxylic acid
CID 6492054
5-(4-{[(3-Methoxy-3-oxopropyl)thio]methyl}phenyl)isoxazole-4-carboxylic acid
CID 68881466
5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid
CID 3019367
5-[7-(Trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazole-4-carboxylic acid
CID 115109454
5-(7-Fluoro-1-benzothiophen-2-yl)-1,2-oxazole-4-carboxylic acid
CID 115109489
5-[6-(Trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazole-4-carboxylic acid
CID 115109539
5-(6-Fluoro-1-benzothiophen-2-yl)-1,2-oxazole-4-carboxylic acid
CID 115109568
5-[5-(Trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazole-4-carboxylic acid
CID 115109618
5-(5-Fluoro-1-benzothiophen-2-yl)-1,2-oxazole-4-carboxylic acid
CID 115109646

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(5-methylthiophen-2-yl)-1,2-oxazole-4-carboxylic acid (CID 75356058) is 5-(5-methylthiophen-2-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-1,2-oxazole-4-carboxylic acid is Cc1ccc(-c2oncc2C(=O)O)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is IXVOLDGJHQQDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-5-2-3-7(14-5)8-6(9(11)12)4-10-13-8/h2-4H,1H3,(H,11,12).
What are the key properties of 5-(5-methylthiophen-2-yl)-1,2-oxazole-4-carboxylic acid?
5-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75356058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).