(3-phenyl-1,2-oxazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate

C19H17FN2O5S — CID 37135894

IUPAC(3-phenyl-1,2-oxazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
SMILESCN(C)S(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C19H17FN2O5S/c1-22(2)28(24,25)15-8-9-17(20)16(11-15)19(23)26-12-14-10-18(21-27-14)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyKPJSRZHWQSQYEG-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.09
Rot. Bonds6

About (3-phenyl-1,2-oxazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate

(3-phenyl-1,2-oxazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate (PubChem CID 37135894) has the molecular formula C19H17FN2O5S and a molecular weight of 404.42 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
PubChem CID37135894
Molecular FormulaC19H17FN2O5S
Molecular Weight404.42 g/mol
Exact Mass404.08
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
SMILESCN(C)S(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C19H17FN2O5S/c1-22(2)28(24,25)15-8-9-17(20)16(11-15)19(23)26-12-14-10-18(21-27-14)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyKPJSRZHWQSQYEG-UHFFFAOYSA-N
XLogP3.09
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate (CID 37135894) is (3-phenyl-1,2-oxazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate is CN(C)S(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(-c3ccccc3)no2)c1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate?
The InChIKey is KPJSRZHWQSQYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O5S/c1-22(2)28(24,25)15-8-9-17(20)16(11-15)19(23)26-12-14-10-18(21-27-14)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3.
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate?
(3-phenyl-1,2-oxazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate has a molecular weight of 404.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate is sourced from PubChem (CID 37135894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).