(5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate

C21H22N2O6S — CID 28577191

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(C)on2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H22N2O6S/c1-15-11-18(22-29-15)14-28-21(24)17-9-10-19(27-3)20(12-17)30(25,26)23(2)13-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3
InChIKeyKGWKUYRPWYCHMJ-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.17
Rot. Bonds8

About (5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate

(5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate (PubChem CID 28577191) has the molecular formula C21H22N2O6S and a molecular weight of 430.48 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
PubChem CID28577191
Molecular FormulaC21H22N2O6S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(C)on2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H22N2O6S/c1-15-11-18(22-29-15)14-28-21(24)17-9-10-19(27-3)20(12-17)30(25,26)23(2)13-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3
InChIKeyKGWKUYRPWYCHMJ-UHFFFAOYSA-N
XLogP3.17
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 42983666
2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 24530085
3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 55652909
benzyl 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722340
(5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate
CID 8865947
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119503968
(5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate
CID 8952093
3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide
CID 56517189
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 31118187
3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 31986975
(4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973283
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 18267673

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate (CID 28577191) is (5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate is COc1ccc(C(=O)OCc2cc(C)on2)cc1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate?
The InChIKey is KGWKUYRPWYCHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6S/c1-15-11-18(22-29-15)14-28-21(24)17-9-10-19(27-3)20(12-17)30(25,26)23(2)13-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate?
(5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate has a molecular weight of 430.48 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate is sourced from PubChem (CID 28577191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).