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

C18H16N2O6S — CID 67695410

IUPAC2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2COCC(=O)O)cc1
InChIInChI=1S/C18H16N2O6S/c19-27(23,24)14-8-6-12(7-9-14)17-15(10-25-11-16(21)22)26-20-18(17)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,21,22)(H2,19,23,24)
InChIKeyTUYBDDJAXMAMIZ-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.26
Rot. Bonds7

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

2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid (PubChem CID 67695410) has the molecular formula C18H16N2O6S and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid
PubChem CID67695410
Molecular FormulaC18H16N2O6S
Molecular Weight388.40 g/mol
Exact Mass388.07
IUPAC Name2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2COCC(=O)O)cc1
InChIInChI=1S/C18H16N2O6S/c19-27(23,24)14-8-6-12(7-9-14)17-15(10-25-11-16(21)22)26-20-18(17)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,21,22)(H2,19,23,24)
InChIKeyTUYBDDJAXMAMIZ-UHFFFAOYSA-N
XLogP2.26
TPSA132.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid?
The IUPAC name of 2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid (CID 67695410) is 2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid is NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2COCC(=O)O)cc1.
What is the InChIKey of 2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid?
The InChIKey is TUYBDDJAXMAMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6S/c19-27(23,24)14-8-6-12(7-9-14)17-15(10-25-11-16(21)22)26-20-18(17)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,21,22)(H2,19,23,24).
What are the key properties of 2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid?
2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid has a molecular weight of 388.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid is sourced from PubChem (CID 67695410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).