3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid

C23H18N2O6S — CID 67622923

IUPAC3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid
SMILESNS(=O)(=O)c1ccccc1-c1oc(COc2cccc(C(=O)O)c2)nc1-c1ccccc1
InChIInChI=1S/C23H18N2O6S/c24-32(28,29)19-12-5-4-11-18(19)22-21(15-7-2-1-3-8-15)25-20(31-22)14-30-17-10-6-9-16(13-17)23(26)27/h1-13H,14H2,(H,26,27)(H2,24,28,29)
InChIKeyFKEDTBJYKVGMLB-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.93
Rot. Bonds7

About 3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid

3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid (PubChem CID 67622923) has the molecular formula C23H18N2O6S and a molecular weight of 450.47 g/mol. Its IUPAC name is 3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid
PubChem CID67622923
Molecular FormulaC23H18N2O6S
Molecular Weight450.47 g/mol
Exact Mass450.09
IUPAC Name3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid
SMILESNS(=O)(=O)c1ccccc1-c1oc(COc2cccc(C(=O)O)c2)nc1-c1ccccc1
InChIInChI=1S/C23H18N2O6S/c24-32(28,29)19-12-5-4-11-18(19)22-21(15-7-2-1-3-8-15)25-20(31-22)14-30-17-10-6-9-16(13-17)23(26)27/h1-13H,14H2,(H,26,27)(H2,24,28,29)
InChIKeyFKEDTBJYKVGMLB-UHFFFAOYSA-N
XLogP3.93
TPSA132.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid?
The IUPAC name of 3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid (CID 67622923) is 3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid.
What is the SMILES notation for 3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid?
The canonical SMILES for 3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid is NS(=O)(=O)c1ccccc1-c1oc(COc2cccc(C(=O)O)c2)nc1-c1ccccc1.
What is the InChIKey of 3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid?
The InChIKey is FKEDTBJYKVGMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O6S/c24-32(28,29)19-12-5-4-11-18(19)22-21(15-7-2-1-3-8-15)25-20(31-22)14-30-17-10-6-9-16(13-17)23(26)27/h1-13H,14H2,(H,26,27)(H2,24,28,29).
What are the key properties of 3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid?
3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid has a molecular weight of 450.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid is sourced from PubChem (CID 67622923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).