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

C23H26N2O5S — CID 55403615

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)OCc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C23H26N2O5S/c1-3-25(4-2)31(27,28)21-13-10-18(11-14-21)12-15-23(26)29-17-20-16-22(30-24-20)19-8-6-5-7-9-19/h5-11,13-14,16H,3-4,12,15,17H2,1-2H3
InChIKeyVRPAVEFHNMRRFW-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.05
Rot. Bonds10

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

(5-phenyl-1,2-oxazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate (PubChem CID 55403615) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate
PubChem CID55403615
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)OCc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C23H26N2O5S/c1-3-25(4-2)31(27,28)21-13-10-18(11-14-21)12-15-23(26)29-17-20-16-22(30-24-20)19-8-6-5-7-9-19/h5-11,13-14,16H,3-4,12,15,17H2,1-2H3
InChIKeyVRPAVEFHNMRRFW-UHFFFAOYSA-N
XLogP4.05
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate (CID 55403615) is (5-phenyl-1,2-oxazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)OCc2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate?
The InChIKey is VRPAVEFHNMRRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-3-25(4-2)31(27,28)21-13-10-18(11-14-21)12-15-23(26)29-17-20-16-22(30-24-20)19-8-6-5-7-9-19/h5-11,13-14,16H,3-4,12,15,17H2,1-2H3.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate?
(5-phenyl-1,2-oxazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate has a molecular weight of 442.54 g/mol, XLogP of 4.05, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate is sourced from PubChem (CID 55403615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).