ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate

C22H19N3O7S — CID 20941103

IUPACethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3cccc(-c4ccno4)c3)c2)on1
InChIInChI=1S/C22H19N3O7S/c1-3-30-22(26)17-13-20(32-24-17)15-7-8-19(29-2)21(12-15)33(27,28)25-16-6-4-5-14(11-16)18-9-10-23-31-18/h4-13,25H,3H2,1-2H3
InChIKeyYJCFDYLGAQIIPX-UHFFFAOYSA-N
MW469.48 g/mol
LogP3.98
Rot. Bonds8

About ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate

ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate (PubChem CID 20941103) has the molecular formula C22H19N3O7S and a molecular weight of 469.48 g/mol. Its IUPAC name is ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate
PubChem CID20941103
Molecular FormulaC22H19N3O7S
Molecular Weight469.48 g/mol
Exact Mass469.09
IUPAC Nameethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3cccc(-c4ccno4)c3)c2)on1
InChIInChI=1S/C22H19N3O7S/c1-3-30-22(26)17-13-20(32-24-17)15-7-8-19(29-2)21(12-15)33(27,28)25-16-6-4-5-14(11-16)18-9-10-23-31-18/h4-13,25H,3H2,1-2H3
InChIKeyYJCFDYLGAQIIPX-UHFFFAOYSA-N
XLogP3.98
TPSA133.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate with MolForge

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Related Compounds

ethyl 5-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941007
ethyl 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-1,2-oxazole-3-carboxylate
CID 20941019
ethyl 5-[3-[(2-ethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941009
ethyl 5-[3-[2-(furan-2-yl)ethylsulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941119
N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094876
ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941084
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate
CID 1204216
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 20935095
N-[3-[(5-ethyl-2-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 110757886
2-methoxy-N-(2-methylphenyl)-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094896
2-ethyl-N-(3-ethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936387

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate (CID 20941103) is ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3cccc(-c4ccno4)c3)c2)on1.
What is the InChIKey of ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is YJCFDYLGAQIIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O7S/c1-3-30-22(26)17-13-20(32-24-17)15-7-8-19(29-2)21(12-15)33(27,28)25-16-6-4-5-14(11-16)18-9-10-23-31-18/h4-13,25H,3H2,1-2H3.
What are the key properties of ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 469.48 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 20941103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).