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

C10H16N2O5S — CID 60951208

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid
SMILESCc1noc(C)c1CN(C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H16N2O5S/c1-7-9(8(2)17-11-7)6-12(3)18(15,16)5-4-10(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyZKIFWZGUKIXPEW-UHFFFAOYSA-N
MW276.31 g/mol
LogP0.53
Rot. Bonds6

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid (PubChem CID 60951208) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid
PubChem CID60951208
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid
SMILESCc1noc(C)c1CN(C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H16N2O5S/c1-7-9(8(2)17-11-7)6-12(3)18(15,16)5-4-10(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyZKIFWZGUKIXPEW-UHFFFAOYSA-N
XLogP0.53
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid (CID 60951208) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid is Cc1noc(C)c1CN(C)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid?
The InChIKey is ZKIFWZGUKIXPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-7-9(8(2)17-11-7)6-12(3)18(15,16)5-4-10(13)14/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid?
3-[(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, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]propanoic acid is sourced from PubChem (CID 60951208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).