2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid

C17H13FN2O5S — CID 67596462

IUPAC2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid
SMILESNS(=O)(=O)c1ccc(-c2c(-c3cccc(F)c3)noc2CC(=O)O)cc1
InChIInChI=1S/C17H13FN2O5S/c18-12-3-1-2-11(8-12)17-16(14(25-20-17)9-15(21)22)10-4-6-13(7-5-10)26(19,23)24/h1-8H,9H2,(H,21,22)(H2,19,23,24)
InChIKeyINPXMENAWAPYDE-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.42
Rot. Bonds5

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

2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid (PubChem CID 67596462) has the molecular formula C17H13FN2O5S and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid
PubChem CID67596462
Molecular FormulaC17H13FN2O5S
Molecular Weight376.37 g/mol
Exact Mass376.05
IUPAC Name2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid
SMILESNS(=O)(=O)c1ccc(-c2c(-c3cccc(F)c3)noc2CC(=O)O)cc1
InChIInChI=1S/C17H13FN2O5S/c18-12-3-1-2-11(8-12)17-16(14(25-20-17)9-15(21)22)10-4-6-13(7-5-10)26(19,23)24/h1-8H,9H2,(H,21,22)(H2,19,23,24)
InChIKeyINPXMENAWAPYDE-UHFFFAOYSA-N
XLogP2.42
TPSA123.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid (CID 67596462) is 2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid is NS(=O)(=O)c1ccc(-c2c(-c3cccc(F)c3)noc2CC(=O)O)cc1.
What is the InChIKey of 2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid?
The InChIKey is INPXMENAWAPYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O5S/c18-12-3-1-2-11(8-12)17-16(14(25-20-17)9-15(21)22)10-4-6-13(7-5-10)26(19,23)24/h1-8H,9H2,(H,21,22)(H2,19,23,24).
What are the key properties of 2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid?
2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid has a molecular weight of 376.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 67596462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).