methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate

C10H10N2O5S — CID 165353850

IUPACmethyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate
SMILESCOC(=O)Cc1ccc2nc(S(N)(=O)=O)oc2c1
InChIInChI=1S/C10H10N2O5S/c1-16-9(13)5-6-2-3-7-8(4-6)17-10(12-7)18(11,14)15/h2-4H,5H2,1H3,(H2,11,14,15)
InChIKeyQTOHYJJDSXUZGI-UHFFFAOYSA-N
MW270.27 g/mol
LogP0.19
Rot. Bonds3

About methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate

methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate (PubChem CID 165353850) has the molecular formula C10H10N2O5S and a molecular weight of 270.27 g/mol. Its IUPAC name is methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate
PubChem CID165353850
Molecular FormulaC10H10N2O5S
Molecular Weight270.27 g/mol
Exact Mass270.03
IUPAC Namemethyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate
SMILESCOC(=O)Cc1ccc2nc(S(N)(=O)=O)oc2c1
InChIInChI=1S/C10H10N2O5S/c1-16-9(13)5-6-2-3-7-8(4-6)17-10(12-7)18(11,14)15/h2-4H,5H2,1H3,(H2,11,14,15)
InChIKeyQTOHYJJDSXUZGI-UHFFFAOYSA-N
XLogP0.19
TPSA112.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(bromomethyl)-1,3-benzoxazole-2-sulfonamide
CID 131572289
methyl 2-(2-bromo-1-benzofuran-5-yl)acetate
CID 71247269
methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate
CID 66912251
5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid
CID 77231209
methyl 2-quinazolin-6-ylacetate
CID 67429396
methyl 4-[4-[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 110801388
methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate
CID 71246503
methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate
CID 59519154
methyl 6-(chloromethyl)-1,3-benzoxazole-2-carboxylate
CID 131408305
2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide
CID 61369143
methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356382
2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide
CID 61369532

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate?
The IUPAC name of methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate (CID 165353850) is methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate.
What is the SMILES notation for methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate?
The canonical SMILES for methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate is COC(=O)Cc1ccc2nc(S(N)(=O)=O)oc2c1.
What is the InChIKey of methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate?
The InChIKey is QTOHYJJDSXUZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5S/c1-16-9(13)5-6-2-3-7-8(4-6)17-10(12-7)18(11,14)15/h2-4H,5H2,1H3,(H2,11,14,15).
What are the key properties of methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate?
methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate has a molecular weight of 270.27 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate is sourced from PubChem (CID 165353850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).