[(3-phenyl-1,2-oxazol-5-yl)-(4-sulfamoylphenyl)methyl] acetate

C18H16N2O5S — CID 67595914

IUPAC[(3-phenyl-1,2-oxazol-5-yl)-(4-sulfamoylphenyl)methyl] acetate
SMILESCC(=O)OC(c1ccc(S(N)(=O)=O)cc1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C18H16N2O5S/c1-12(21)24-18(14-7-9-15(10-8-14)26(19,22)23)17-11-16(20-25-17)13-5-3-2-4-6-13/h2-11,18H,1H3,(H2,19,22,23)
InChIKeyZSAJRYSGZXONRC-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.64
Rot. Bonds5

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

[(3-phenyl-1,2-oxazol-5-yl)-(4-sulfamoylphenyl)methyl] acetate (PubChem CID 67595914) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is [(3-phenyl-1,2-oxazol-5-yl)-(4-sulfamoylphenyl)methyl] acetate.

Molecular Properties

Compound Name[(3-phenyl-1,2-oxazol-5-yl)-(4-sulfamoylphenyl)methyl] acetate
PubChem CID67595914
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name[(3-phenyl-1,2-oxazol-5-yl)-(4-sulfamoylphenyl)methyl] acetate
SMILESCC(=O)OC(c1ccc(S(N)(=O)=O)cc1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C18H16N2O5S/c1-12(21)24-18(14-7-9-15(10-8-14)26(19,22)23)17-11-16(20-25-17)13-5-3-2-4-6-13/h2-11,18H,1H3,(H2,19,22,23)
InChIKeyZSAJRYSGZXONRC-UHFFFAOYSA-N
XLogP2.64
TPSA112.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3-phenyl-1,2-oxazol-5-yl)-(4-sulfamoylphenyl)methyl] acetate?
The IUPAC name of [(3-phenyl-1,2-oxazol-5-yl)-(4-sulfamoylphenyl)methyl] acetate (CID 67595914) is [(3-phenyl-1,2-oxazol-5-yl)-(4-sulfamoylphenyl)methyl] acetate.
What is the SMILES notation for [(3-phenyl-1,2-oxazol-5-yl)-(4-sulfamoylphenyl)methyl] acetate?
The canonical SMILES for [(3-phenyl-1,2-oxazol-5-yl)-(4-sulfamoylphenyl)methyl] acetate is CC(=O)OC(c1ccc(S(N)(=O)=O)cc1)c1cc(-c2ccccc2)no1.
What is the InChIKey of [(3-phenyl-1,2-oxazol-5-yl)-(4-sulfamoylphenyl)methyl] acetate?
The InChIKey is ZSAJRYSGZXONRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-12(21)24-18(14-7-9-15(10-8-14)26(19,22)23)17-11-16(20-25-17)13-5-3-2-4-6-13/h2-11,18H,1H3,(H2,19,22,23).
What are the key properties of [(3-phenyl-1,2-oxazol-5-yl)-(4-sulfamoylphenyl)methyl] acetate?
[(3-phenyl-1,2-oxazol-5-yl)-(4-sulfamoylphenyl)methyl] acetate has a molecular weight of 372.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-phenyl-1,2-oxazol-5-yl)-(4-sulfamoylphenyl)methyl] acetate is sourced from PubChem (CID 67595914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).