2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid

C17H13ClN2O5S — CID 11949254

IUPAC2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
SMILESNS(=O)(=O)c1ccc(-c2oc(CC(=O)O)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClN2O5S/c18-12-5-1-10(2-6-12)16-17(25-14(20-16)9-15(21)22)11-3-7-13(8-4-11)26(19,23)24/h1-8H,9H2,(H,21,22)(H2,19,23,24)
InChIKeyQMKKMUQGHGIESD-UHFFFAOYSA-N
MW392.82 g/mol
LogP2.94
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid

2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid (PubChem CID 11949254) has the molecular formula C17H13ClN2O5S and a molecular weight of 392.82 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
PubChem CID11949254
Molecular FormulaC17H13ClN2O5S
Molecular Weight392.82 g/mol
Exact Mass392.02
IUPAC Name2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
SMILESNS(=O)(=O)c1ccc(-c2oc(CC(=O)O)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClN2O5S/c18-12-5-1-10(2-6-12)16-17(25-14(20-16)9-15(21)22)11-3-7-13(8-4-11)26(19,23)24/h1-8H,9H2,(H,21,22)(H2,19,23,24)
InChIKeyQMKKMUQGHGIESD-UHFFFAOYSA-N
XLogP2.94
TPSA123.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic 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 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid (CID 11949254) is 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid is NS(=O)(=O)c1ccc(-c2oc(CC(=O)O)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid?
The InChIKey is QMKKMUQGHGIESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O5S/c18-12-5-1-10(2-6-12)16-17(25-14(20-16)9-15(21)22)11-3-7-13(8-4-11)26(19,23)24/h1-8H,9H2,(H,21,22)(H2,19,23,24).
What are the key properties of 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid?
2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid has a molecular weight of 392.82 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid is sourced from PubChem (CID 11949254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).