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

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Related Compounds

ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 11949253
4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701480
methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 11947914
4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701527
2-bromo-2-[5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
CID 54020912
2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxyacetamide
CID 22505621
[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methyl N-hydroxy-N-methylcarbamodithioate
CID 22505336
2-[5-(4-ethylsulfonylphenyl)-4-(4-fluorophenyl)-1,3-oxazol-2-yl]acetic acid
CID 70212383
2-[4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
CID 22505648
N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide
CID 22505629
2-[4-(4-fluorophenyl)-5-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-1,3-oxazol-2-yl]acetic acid
CID 143009168
methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate
CID 11948196

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).