(5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

C25H22N2O6S — CID 16532904

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C25H22N2O6S/c1-27(21-10-6-7-11-22(21)31-2)34(29,30)20-14-12-19(13-15-20)25(28)32-17-24-26-16-23(33-24)18-8-4-3-5-9-18/h3-16H,17H2,1-2H3
InChIKeyZBNNKAPDTLPFMD-UHFFFAOYSA-N
MW478.53 g/mol
LogP4.53
Rot. Bonds8

About (5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

(5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (PubChem CID 16532904) has the molecular formula C25H22N2O6S and a molecular weight of 478.53 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
PubChem CID16532904
Molecular FormulaC25H22N2O6S
Molecular Weight478.53 g/mol
Exact Mass478.12
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C25H22N2O6S/c1-27(21-10-6-7-11-22(21)31-2)34(29,30)20-14-12-19(13-15-20)25(28)32-17-24-26-16-23(33-24)18-8-4-3-5-9-18/h3-16H,17H2,1-2H3
InChIKeyZBNNKAPDTLPFMD-UHFFFAOYSA-N
XLogP4.53
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7811686
(3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18205883
(2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595353
[2-(N-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2434865
(5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 4559248
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514820
(5-phenyl-1,3-oxazol-2-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976353
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate
CID 16595735
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 43004476
(5-phenyl-1,3-oxazol-2-yl)methyl 3,5-dichloro-4-methoxybenzoate
CID 9125999
(2-butoxy-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 16569078

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (CID 16532904) is (5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The InChIKey is ZBNNKAPDTLPFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6S/c1-27(21-10-6-7-11-22(21)31-2)34(29,30)20-14-12-19(13-15-20)25(28)32-17-24-26-16-23(33-24)18-8-4-3-5-9-18/h3-16H,17H2,1-2H3.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
(5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate has a molecular weight of 478.53 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 16532904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).