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

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

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Related Compounds

2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 67622817
3-[4-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methyl]phenyl]propanoic acid
CID 67771808
N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide
CID 22505284
3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid
CID 43307236
3-[2-methyl-4-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methyl]phenyl]prop-2-ynoic acid
CID 67621615
N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 22505474
2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 173207529
2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 67625035
methyl 2-[5-phenyl-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 67623640
4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701723
5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole
CID 18701821
2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
CID 87974449

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).