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

C15H18N2O5S — CID 91643754

IUPAC3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]propanoic acid
SMILESCc1noc(C)c1N(C)S(=O)(=O)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C15H18N2O5S/c1-10-15(11(2)22-16-10)17(3)23(20,21)13-7-4-12(5-8-13)6-9-14(18)19/h4-5,7-8H,6,9H2,1-3H3,(H,18,19)
InChIKeyNVESMTQFHSVILL-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.13
Rot. Bonds6

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

3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]propanoic acid (PubChem CID 91643754) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]propanoic acid
PubChem CID91643754
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]propanoic acid
SMILESCc1noc(C)c1N(C)S(=O)(=O)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C15H18N2O5S/c1-10-15(11(2)22-16-10)17(3)23(20,21)13-7-4-12(5-8-13)6-9-14(18)19/h4-5,7-8H,6,9H2,1-3H3,(H,18,19)
InChIKeyNVESMTQFHSVILL-UHFFFAOYSA-N
XLogP2.13
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]propanoic acid (CID 91643754) is 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]propanoic acid is Cc1noc(C)c1N(C)S(=O)(=O)c1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]propanoic acid?
The InChIKey is NVESMTQFHSVILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-10-15(11(2)22-16-10)17(3)23(20,21)13-7-4-12(5-8-13)6-9-14(18)19/h4-5,7-8H,6,9H2,1-3H3,(H,18,19).
What are the key properties of 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]propanoic acid?
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]propanoic acid has a molecular weight of 338.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]propanoic acid is sourced from PubChem (CID 91643754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).