(5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate

C20H20N2O5S — CID 55475167

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C20H20N2O5S/c1-14(2)22-28(24,25)18-10-8-16(9-11-18)20(23)26-13-17-12-19(27-21-17)15-6-4-3-5-7-15/h3-12,14,22H,13H2,1-2H3
InChIKeyBUXHOLIFTZJCNA-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.39
Rot. Bonds7

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

(5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate (PubChem CID 55475167) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate
PubChem CID55475167
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C20H20N2O5S/c1-14(2)22-28(24,25)18-10-8-16(9-11-18)20(23)26-13-17-12-19(27-21-17)15-6-4-3-5-7-15/h3-12,14,22H,13H2,1-2H3
InChIKeyBUXHOLIFTZJCNA-UHFFFAOYSA-N
XLogP3.39
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 16869504
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 46803049
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 55500365
1-O-methyl 3-O-[(5-phenyl-1,2-oxazol-3-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate
CID 9230720
(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate
CID 24530422
(5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
CID 55462775
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate
CID 16869420
(5-methyl-1,2-oxazol-3-yl)methyl 3-(benzenesulfonamido)benzoate
CID 8015603
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 16870135
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate
CID 55523885
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
CID 8648321

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate (CID 55475167) is (5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate is CC(C)NS(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate?
The InChIKey is BUXHOLIFTZJCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-14(2)22-28(24,25)18-10-8-16(9-11-18)20(23)26-13-17-12-19(27-21-17)15-6-4-3-5-7-15/h3-12,14,22H,13H2,1-2H3.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate?
(5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate has a molecular weight of 400.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 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 4-(propan-2-ylsulfamoyl)benzoate is sourced from PubChem (CID 55475167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).