(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate

C21H22N2O5S — CID 55505433

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate
SMILESCNS(=O)(=O)c1ccc(CCC(=O)OCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C21H22N2O5S/c1-15-19(23-21(28-15)17-6-4-3-5-7-17)14-27-20(24)13-10-16-8-11-18(12-9-16)29(25,26)22-2/h3-9,11-12,22H,10,13-14H2,1-2H3
InChIKeyJULIFYXEVVHMEY-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.23
Rot. Bonds8

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

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate (PubChem CID 55505433) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate
PubChem CID55505433
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate
SMILESCNS(=O)(=O)c1ccc(CCC(=O)OCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C21H22N2O5S/c1-15-19(23-21(28-15)17-6-4-3-5-7-17)14-27-20(24)13-10-16-8-11-18(12-9-16)29(25,26)22-2/h3-9,11-12,22H,10,13-14H2,1-2H3
InChIKeyJULIFYXEVVHMEY-UHFFFAOYSA-N
XLogP3.23
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 16588563
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-fluorophenyl)acetate
CID 16588798
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-[2-(methanesulfonamido)ethyl]benzoate
CID 18275248
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 55644091
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16617005
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 24619168
ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate
CID 141039508
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate
CID 174457972
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 16588852
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(2-methylbenzoyl)amino]acetate
CID 16589199
4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110414959
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
CID 16588766

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate (CID 55505433) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate is CNS(=O)(=O)c1ccc(CCC(=O)OCc2nc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate?
The InChIKey is JULIFYXEVVHMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-15-19(23-21(28-15)17-6-4-3-5-7-17)14-27-20(24)13-10-16-8-11-18(12-9-16)29(25,26)22-2/h3-9,11-12,22H,10,13-14H2,1-2H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate has a molecular weight of 414.48 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate is sourced from PubChem (CID 55505433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).