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

C18H15FN2O5S — CID 19698547

IUPAC3-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoic acid
SMILESNS(=O)(=O)c1ccc(-c2oc(CCC(=O)O)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN2O5S/c19-13-5-1-11(2-6-13)17-18(26-15(21-17)9-10-16(22)23)12-3-7-14(8-4-12)27(20,24)25/h1-8H,9-10H2,(H,22,23)(H2,20,24,25)
InChIKeyIBYUQQZXLKVAEK-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.81
Rot. Bonds6

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

3-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoic acid (PubChem CID 19698547) has the molecular formula C18H15FN2O5S and a molecular weight of 390.39 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoic acid
PubChem CID19698547
Molecular FormulaC18H15FN2O5S
Molecular Weight390.39 g/mol
Exact Mass390.07
IUPAC Name3-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoic acid
SMILESNS(=O)(=O)c1ccc(-c2oc(CCC(=O)O)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN2O5S/c19-13-5-1-11(2-6-13)17-18(26-15(21-17)9-10-16(22)23)12-3-7-14(8-4-12)27(20,24)25/h1-8H,9-10H2,(H,22,23)(H2,20,24,25)
InChIKeyIBYUQQZXLKVAEK-UHFFFAOYSA-N
XLogP2.81
TPSA123.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoic acid?
The IUPAC name of 3-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoic acid (CID 19698547) is 3-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoic acid is NS(=O)(=O)c1ccc(-c2oc(CCC(=O)O)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoic acid?
The InChIKey is IBYUQQZXLKVAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O5S/c19-13-5-1-11(2-6-13)17-18(26-15(21-17)9-10-16(22)23)12-3-7-14(8-4-12)27(20,24)25/h1-8H,9-10H2,(H,22,23)(H2,20,24,25).
What are the key properties of 3-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoic acid?
3-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoic acid has a molecular weight of 390.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoic acid is sourced from PubChem (CID 19698547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).