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

C21H21ClN2O5S — CID 31710711

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H21ClN2O5S/c1-3-24(4-2)30(26,27)17-10-11-19(22)18(12-17)21(25)29-14-16-13-28-20(23-16)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3
InChIKeyBXRUQMOOVUJXGY-UHFFFAOYSA-N
MW448.93 g/mol
LogP4.38
Rot. Bonds8

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

(2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate (PubChem CID 31710711) has the molecular formula C21H21ClN2O5S and a molecular weight of 448.93 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate
PubChem CID31710711
Molecular FormulaC21H21ClN2O5S
Molecular Weight448.93 g/mol
Exact Mass448.09
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H21ClN2O5S/c1-3-24(4-2)30(26,27)17-10-11-19(22)18(12-17)21(25)29-14-16-13-28-20(23-16)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3
InChIKeyBXRUQMOOVUJXGY-UHFFFAOYSA-N
XLogP4.38
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(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-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 18085109
(2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 31712291
phenyl 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2668421
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16610957
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445
1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate
CID 16521782
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
CID 18085090
(2-phenyl-1,3-thiazol-4-yl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16512444
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 16508797
(2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate
CID 166222394
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510286
(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 16605196

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate (CID 31710711) is (2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2coc(-c3ccccc3)n2)c1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate?
The InChIKey is BXRUQMOOVUJXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O5S/c1-3-24(4-2)30(26,27)17-10-11-19(22)18(12-17)21(25)29-14-16-13-28-20(23-16)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate?
(2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate has a molecular weight of 448.93 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 31710711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).