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

C26H24N2O6S — CID 42983666

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2coc(-c3ccccc3)n2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C26H24N2O6S/c1-28(16-19-9-5-3-6-10-19)35(30,31)24-15-21(13-14-23(24)32-2)26(29)34-18-22-17-33-25(27-22)20-11-7-4-8-12-20/h3-15,17H,16,18H2,1-2H3
InChIKeyUPTWBKMJYZEPAO-UHFFFAOYSA-N
MW492.55 g/mol
LogP4.53
Rot. Bonds9

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

(2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate (PubChem CID 42983666) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
PubChem CID42983666
Molecular FormulaC26H24N2O6S
Molecular Weight492.55 g/mol
Exact Mass492.14
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2coc(-c3ccccc3)n2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C26H24N2O6S/c1-28(16-19-9-5-3-6-10-19)35(30,31)24-15-21(13-14-23(24)32-2)26(29)34-18-22-17-33-25(27-22)20-11-7-4-8-12-20/h3-15,17H,16,18H2,1-2H3
InChIKeyUPTWBKMJYZEPAO-UHFFFAOYSA-N
XLogP4.53
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 28577191
2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 24530085
(2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate
CID 18099446
benzyl 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722340
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(propylsulfonylamino)benzoate
CID 55553535
3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 31986975
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119503968
(2-phenyl-1,3-oxazol-4-yl)methyl 2-bromo-5-methoxybenzoate
CID 18085087
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 18267673
3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 55652909
(3-methoxyphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 55331142

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate (CID 42983666) is (2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate is COc1ccc(C(=O)OCc2coc(-c3ccccc3)n2)cc1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate?
The InChIKey is UPTWBKMJYZEPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S/c1-28(16-19-9-5-3-6-10-19)35(30,31)24-15-21(13-14-23(24)32-2)26(29)34-18-22-17-33-25(27-22)20-11-7-4-8-12-20/h3-15,17H,16,18H2,1-2H3.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate?
(2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate has a molecular weight of 492.55 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate is sourced from PubChem (CID 42983666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).