2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid

C10H16N2O5S — CID 54947233

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid
SMILESCc1noc(C)c1CN(C)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C10H16N2O5S/c1-6-9(7(2)17-11-6)5-12(4)18(15,16)8(3)10(13)14/h8H,5H2,1-4H3,(H,13,14)
InChIKeyWBHJAWWKWXUEME-UHFFFAOYSA-N
MW276.31 g/mol
LogP0.53
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid (PubChem CID 54947233) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid
PubChem CID54947233
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid
SMILESCc1noc(C)c1CN(C)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C10H16N2O5S/c1-6-9(7(2)17-11-6)5-12(4)18(15,16)8(3)10(13)14/h8H,5H2,1-4H3,(H,13,14)
InChIKeyWBHJAWWKWXUEME-UHFFFAOYSA-N
XLogP0.53
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid (CID 54947233) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid is Cc1noc(C)c1CN(C)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid?
The InChIKey is WBHJAWWKWXUEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-6-9(7(2)17-11-6)5-12(4)18(15,16)8(3)10(13)14/h8H,5H2,1-4H3,(H,13,14).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid has a molecular weight of 276.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid is sourced from PubChem (CID 54947233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).