5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid

C8H7NO4S2 — CID 87522048

IUPAC5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid
SMILESCc1cc(-c2ccc(S(=O)(=O)O)s2)on1
InChIInChI=1S/C8H7NO4S2/c1-5-4-6(13-9-5)7-2-3-8(14-7)15(10,11)12/h2-4H,1H3,(H,10,11,12)
InChIKeyZIPDLDQGUAAXSW-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.96
Rot. Bonds2

About 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid

5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid (PubChem CID 87522048) has the molecular formula C8H7NO4S2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid.

Molecular Properties

Compound Name5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid
PubChem CID87522048
Molecular FormulaC8H7NO4S2
Molecular Weight245.28 g/mol
Exact Mass244.98
IUPAC Name5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid
SMILESCc1cc(-c2ccc(S(=O)(=O)O)s2)on1
InChIInChI=1S/C8H7NO4S2/c1-5-4-6(13-9-5)7-2-3-8(14-7)15(10,11)12/h2-4H,1H3,(H,10,11,12)
InChIKeyZIPDLDQGUAAXSW-UHFFFAOYSA-N
XLogP1.96
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936180
5-(3-methyl-1,2-oxazol-5-yl)-N-pyridin-2-ylthiophene-2-sulfonamide
CID 20936287
N-(2-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936284
N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936257
5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide
CID 20936205
N-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 20936222
N-(2-ethoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936262
ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 20936192
3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936295
N-[1-(furan-2-yl)propan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936303
5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)thiophene-2-sulfonic acid
CID 2822907
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936314

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid?
The IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid (CID 87522048) is 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid.
What is the SMILES notation for 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid?
The canonical SMILES for 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid is Cc1cc(-c2ccc(S(=O)(=O)O)s2)on1.
What is the InChIKey of 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid?
The InChIKey is ZIPDLDQGUAAXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4S2/c1-5-4-6(13-9-5)7-2-3-8(14-7)15(10,11)12/h2-4H,1H3,(H,10,11,12).
What are the key properties of 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid?
5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid has a molecular weight of 245.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid is sourced from PubChem (CID 87522048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).