(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate

C17H22N2O5S — CID 47821720

IUPAC(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2nc(C)c(C)o2)c1
InChIInChI=1S/C17H22N2O5S/c1-5-19(6-2)25(21,22)15-9-7-8-14(10-15)17(20)23-11-16-18-12(3)13(4)24-16/h7-10H,5-6,11H2,1-4H3
InChIKeyVSLOKGWPJDJOJM-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.68
Rot. Bonds7

About (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate

(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate (PubChem CID 47821720) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate
PubChem CID47821720
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2nc(C)c(C)o2)c1
InChIInChI=1S/C17H22N2O5S/c1-5-19(6-2)25(21,22)15-9-7-8-14(10-15)17(20)23-11-16-18-12(3)13(4)24-16/h7-10H,5-6,11H2,1-4H3
InChIKeyVSLOKGWPJDJOJM-UHFFFAOYSA-N
XLogP2.68
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate 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

(2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate
CID 7970187
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
benzyl 3-(diethylsulfamoyl)benzoate
CID 7970190
ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate
CID 55648863
cyanomethyl 3-(diethylsulfamoyl)benzoate
CID 2505913
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505781
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
3-(diethylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838749
5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide
CID 87043361
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate
CID 8705374

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate?
The IUPAC name of (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate (CID 47821720) is (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2nc(C)c(C)o2)c1.
What is the InChIKey of (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate?
The InChIKey is VSLOKGWPJDJOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-5-19(6-2)25(21,22)15-9-7-8-14(10-15)17(20)23-11-16-18-12(3)13(4)24-16/h7-10H,5-6,11H2,1-4H3.
What are the key properties of (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate?
(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate has a molecular weight of 366.44 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 47821720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).