(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16870033
(2-phenyl-1,3-thiazol-4-yl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16512444
(5-phenyl-1,2-oxazol-3-yl)methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
CID 39968645
[2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 35379939
(3-phenyl-1,2-oxazol-5-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55474493
4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867195
3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
CID 53414694
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 16869504
(5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 55475167
3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009516
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 35380229
(5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate
CID 8568214

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).