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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Related Compounds

2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 67597127
2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide
CID 67613413
3-[4-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methyl]phenyl]propanoic acid
CID 67771808
2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 67594995
N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide
CID 22505284
2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 67594883
3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
CID 53414694
2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594963
2-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594923
3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid
CID 84674857
methyl 2-[5-phenyl-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 67623640
2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide
CID 70207331

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).