2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid

C10H10N2O6S — CID 62904172

IUPAC2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)Nc2cnoc2)c1C(=O)O
InChIInChI=1S/C10H10N2O6S/c1-5-8(10(13)14)9(6(2)18-5)19(15,16)12-7-3-11-17-4-7/h3-4,12H,1-2H3,(H,13,14)
InChIKeyGQSCXMQFKPGWLL-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.38
Rot. Bonds4

About 2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid

2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid (PubChem CID 62904172) has the molecular formula C10H10N2O6S and a molecular weight of 286.26 g/mol. Its IUPAC name is 2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid
PubChem CID62904172
Molecular FormulaC10H10N2O6S
Molecular Weight286.26 g/mol
Exact Mass286.03
IUPAC Name2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)Nc2cnoc2)c1C(=O)O
InChIInChI=1S/C10H10N2O6S/c1-5-8(10(13)14)9(6(2)18-5)19(15,16)12-7-3-11-17-4-7/h3-4,12H,1-2H3,(H,13,14)
InChIKeyGQSCXMQFKPGWLL-UHFFFAOYSA-N
XLogP1.38
TPSA122.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid (CID 62904172) is 2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid is Cc1oc(C)c(S(=O)(=O)Nc2cnoc2)c1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid?
The InChIKey is GQSCXMQFKPGWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O6S/c1-5-8(10(13)14)9(6(2)18-5)19(15,16)12-7-3-11-17-4-7/h3-4,12H,1-2H3,(H,13,14).
What are the key properties of 2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid?
2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid has a molecular weight of 286.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(1,2-oxazol-4-ylsulfamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 62904172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).