3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid

C6H8N2O5S — CID 62904166

IUPAC3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1cnoc1
InChIInChI=1S/C6H8N2O5S/c9-6(10)1-2-14(11,12)8-5-3-7-13-4-5/h3-4,8H,1-2H2,(H,9,10)
InChIKeyCWQVXXVXEXORSJ-UHFFFAOYSA-N
MW220.21 g/mol
LogP-0.11
Rot. Bonds5

About 3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid

3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid (PubChem CID 62904166) has the molecular formula C6H8N2O5S and a molecular weight of 220.21 g/mol. Its IUPAC name is 3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid
PubChem CID62904166
Molecular FormulaC6H8N2O5S
Molecular Weight220.21 g/mol
Exact Mass220.02
IUPAC Name3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1cnoc1
InChIInChI=1S/C6H8N2O5S/c9-6(10)1-2-14(11,12)8-5-3-7-13-4-5/h3-4,8H,1-2H2,(H,9,10)
InChIKeyCWQVXXVXEXORSJ-UHFFFAOYSA-N
XLogP-0.11
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,2-oxazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 62913608
3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid
CID 43535078
4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid
CID 62904536
3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid
CID 43709814
3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid
CID 63327614
4-(pyridin-3-ylsulfamoyl)butanoic acid
CID 28773517
3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid
CID 60934478
3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid
CID 43714343
3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid
CID 28991675
5-(1,2-oxazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 62904176
3-(1,2-oxazol-4-yl)propanoic acid
CID 23006336
3-[(2,6-diethylphenyl)sulfamoyl]propanoic acid
CID 28514287

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid?
The IUPAC name of 3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid (CID 62904166) is 3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid is O=C(O)CCS(=O)(=O)Nc1cnoc1.
What is the InChIKey of 3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid?
The InChIKey is CWQVXXVXEXORSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O5S/c9-6(10)1-2-14(11,12)8-5-3-7-13-4-5/h3-4,8H,1-2H2,(H,9,10).
What are the key properties of 3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid?
3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid has a molecular weight of 220.21 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 62904166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).