[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate

C20H19ClN2O5S — CID 46803049

IUPAC[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C20H19ClN2O5S/c1-13(2)23-29(25,26)18-9-5-15(6-10-18)20(24)27-12-17-11-19(22-28-17)14-3-7-16(21)8-4-14/h3-11,13,23H,12H2,1-2H3
InChIKeyLELWGZWIBLARHK-UHFFFAOYSA-N
MW434.90 g/mol
LogP4.04
Rot. Bonds7

About [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate

[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate (PubChem CID 46803049) has the molecular formula C20H19ClN2O5S and a molecular weight of 434.90 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate
PubChem CID46803049
Molecular FormulaC20H19ClN2O5S
Molecular Weight434.90 g/mol
Exact Mass434.07
IUPAC Name[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C20H19ClN2O5S/c1-13(2)23-29(25,26)18-9-5-15(6-10-18)20(24)27-12-17-11-19(22-28-17)14-3-7-16(21)8-4-14/h3-11,13,23H,12H2,1-2H3
InChIKeyLELWGZWIBLARHK-UHFFFAOYSA-N
XLogP4.04
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate
CID 138465127
(5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 55475167
(2-chloro-6-fluorophenyl)methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 55475796
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 55500365
(3-methyl-1,2-oxazol-5-yl)methyl 4-[(4-bromophenyl)sulfonylamino]benzoate
CID 35513152
methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
CID 131857629
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
CID 112503109
2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide
CID 56569965
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-morpholin-4-yl-3-nitrobenzoate
CID 16605188
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 16605202
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate?
The IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate (CID 46803049) is [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate.
What is the SMILES notation for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate?
The canonical SMILES for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate is CC(C)NS(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate?
The InChIKey is LELWGZWIBLARHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5S/c1-13(2)23-29(25,26)18-9-5-15(6-10-18)20(24)27-12-17-11-19(22-28-17)14-3-7-16(21)8-4-14/h3-11,13,23H,12H2,1-2H3.
What are the key properties of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate?
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate has a molecular weight of 434.90 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate is sourced from PubChem (CID 46803049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).