ethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate

C17H17N3O6S — CID 5307586

IUPACethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate
SMILESCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccn3)ccc21
InChIInChI=1S/C17H17N3O6S/c1-2-25-16(21)11-20-14-7-6-13(9-15(14)26-17(20)22)27(23,24)19-10-12-5-3-4-8-18-12/h3-9,19H,2,10-11H2,1H3
InChIKeyYNUVTYKKVPKGLG-UHFFFAOYSA-N
MW391.41 g/mol
LogP1.03
Rot. Bonds7

About ethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate

ethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate (PubChem CID 5307586) has the molecular formula C17H17N3O6S and a molecular weight of 391.41 g/mol. Its IUPAC name is ethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate
PubChem CID5307586
Molecular FormulaC17H17N3O6S
Molecular Weight391.41 g/mol
Exact Mass391.08
IUPAC Nameethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate
SMILESCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccn3)ccc21
InChIInChI=1S/C17H17N3O6S/c1-2-25-16(21)11-20-14-7-6-13(9-15(14)26-17(20)22)27(23,24)19-10-12-5-3-4-8-18-12/h3-9,19H,2,10-11H2,1H3
InChIKeyYNUVTYKKVPKGLG-UHFFFAOYSA-N
XLogP1.03
TPSA120.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate?
The IUPAC name of ethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate (CID 5307586) is ethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate is CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccn3)ccc21.
What is the InChIKey of ethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate?
The InChIKey is YNUVTYKKVPKGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6S/c1-2-25-16(21)11-20-14-7-6-13(9-15(14)26-17(20)22)27(23,24)19-10-12-5-3-4-8-18-12/h3-9,19H,2,10-11H2,1H3.
What are the key properties of ethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate?
ethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate has a molecular weight of 391.41 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-oxo-6-(pyridin-2-ylmethylsulfamoyl)-1,3-benzoxazol-3-yl]acetate is sourced from PubChem (CID 5307586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).