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

C18H16N2O5S — CID 67695683

IUPAC3-[4-phenyl-5-(2-sulfamoylphenyl)-1,2-oxazol-3-yl]propanoic acid
SMILESNS(=O)(=O)c1ccccc1-c1onc(CCC(=O)O)c1-c1ccccc1
InChIInChI=1S/C18H16N2O5S/c19-26(23,24)15-9-5-4-8-13(15)18-17(12-6-2-1-3-7-12)14(20-25-18)10-11-16(21)22/h1-9H,10-11H2,(H,21,22)(H2,19,23,24)
InChIKeyFIZLZSAQSGETJS-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.67
Rot. Bonds6

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

3-[4-phenyl-5-(2-sulfamoylphenyl)-1,2-oxazol-3-yl]propanoic acid (PubChem CID 67695683) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-[4-phenyl-5-(2-sulfamoylphenyl)-1,2-oxazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-phenyl-5-(2-sulfamoylphenyl)-1,2-oxazol-3-yl]propanoic acid
PubChem CID67695683
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name3-[4-phenyl-5-(2-sulfamoylphenyl)-1,2-oxazol-3-yl]propanoic acid
SMILESNS(=O)(=O)c1ccccc1-c1onc(CCC(=O)O)c1-c1ccccc1
InChIInChI=1S/C18H16N2O5S/c19-26(23,24)15-9-5-4-8-13(15)18-17(12-6-2-1-3-7-12)14(20-25-18)10-11-16(21)22/h1-9H,10-11H2,(H,21,22)(H2,19,23,24)
InChIKeyFIZLZSAQSGETJS-UHFFFAOYSA-N
XLogP2.67
TPSA123.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-phenyl-5-(2-sulfamoylphenyl)-1,2-oxazol-3-yl]propanoic acid?
The IUPAC name of 3-[4-phenyl-5-(2-sulfamoylphenyl)-1,2-oxazol-3-yl]propanoic acid (CID 67695683) is 3-[4-phenyl-5-(2-sulfamoylphenyl)-1,2-oxazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-phenyl-5-(2-sulfamoylphenyl)-1,2-oxazol-3-yl]propanoic acid?
The canonical SMILES for 3-[4-phenyl-5-(2-sulfamoylphenyl)-1,2-oxazol-3-yl]propanoic acid is NS(=O)(=O)c1ccccc1-c1onc(CCC(=O)O)c1-c1ccccc1.
What is the InChIKey of 3-[4-phenyl-5-(2-sulfamoylphenyl)-1,2-oxazol-3-yl]propanoic acid?
The InChIKey is FIZLZSAQSGETJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c19-26(23,24)15-9-5-4-8-13(15)18-17(12-6-2-1-3-7-12)14(20-25-18)10-11-16(21)22/h1-9H,10-11H2,(H,21,22)(H2,19,23,24).
What are the key properties of 3-[4-phenyl-5-(2-sulfamoylphenyl)-1,2-oxazol-3-yl]propanoic acid?
3-[4-phenyl-5-(2-sulfamoylphenyl)-1,2-oxazol-3-yl]propanoic acid has a molecular weight of 372.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-phenyl-5-(2-sulfamoylphenyl)-1,2-oxazol-3-yl]propanoic acid is sourced from PubChem (CID 67695683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).