[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate

C24H19FN2O5S — CID 55543565

IUPAC[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate
SMILESO=C(OCc1coc(-c2ccc(F)cc2)n1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H19FN2O5S/c25-20-11-9-18(10-12-20)23-27-21(15-31-23)16-32-24(28)19-7-4-8-22(13-19)33(29,30)26-14-17-5-2-1-3-6-17/h1-13,15,26H,14,16H2
InChIKeyHLCOTUSRQMJOCO-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.32
Rot. Bonds8

About [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate

[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate (PubChem CID 55543565) has the molecular formula C24H19FN2O5S and a molecular weight of 466.49 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate
PubChem CID55543565
Molecular FormulaC24H19FN2O5S
Molecular Weight466.49 g/mol
Exact Mass466.10
IUPAC Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate
SMILESO=C(OCc1coc(-c2ccc(F)cc2)n1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H19FN2O5S/c25-20-11-9-18(10-12-20)23-27-21(15-31-23)16-32-24(28)19-7-4-8-22(13-19)33(29,30)26-14-17-5-2-1-3-6-17/h1-13,15,26H,14,16H2
InChIKeyHLCOTUSRQMJOCO-UHFFFAOYSA-N
XLogP4.32
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate
CID 32654742
pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate
CID 18136103
[(1R)-1-(4-fluorophenyl)ethyl] 3-(benzylsulfamoyl)benzoate
CID 7666436
(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 16605196
[2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 55313269
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(benzylsulfamoyl)benzoate
CID 16595617
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate
CID 32646400
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(propylsulfonylamino)benzoate
CID 55553535
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2096209
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate
CID 32644596
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2431315
[2-(4-methylphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 25047077

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate (CID 55543565) is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate is O=C(OCc1coc(-c2ccc(F)cc2)n1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate?
The InChIKey is HLCOTUSRQMJOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O5S/c25-20-11-9-18(10-12-20)23-27-21(15-31-23)16-32-24(28)19-7-4-8-22(13-19)33(29,30)26-14-17-5-2-1-3-6-17/h1-13,15,26H,14,16H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate?
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate has a molecular weight of 466.49 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate is sourced from PubChem (CID 55543565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).