2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide

C10H11N3O6S — CID 113358305

IUPAC2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NOCC(N)=O)ccc21
InChIInChI=1S/C10H11N3O6S/c1-13-7-3-2-6(4-8(7)19-10(13)15)20(16,17)12-18-5-9(11)14/h2-4,12H,5H2,1H3,(H2,11,14)
InChIKeyFTYKVWXMCUXOBJ-UHFFFAOYSA-N
MW301.28 g/mol
LogP-1.17
Rot. Bonds5

About 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide

2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide (PubChem CID 113358305) has the molecular formula C10H11N3O6S and a molecular weight of 301.28 g/mol. Its IUPAC name is 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide
PubChem CID113358305
Molecular FormulaC10H11N3O6S
Molecular Weight301.28 g/mol
Exact Mass301.04
IUPAC Name2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NOCC(N)=O)ccc21
InChIInChI=1S/C10H11N3O6S/c1-13-7-3-2-6(4-8(7)19-10(13)15)20(16,17)12-18-5-9(11)14/h2-4,12H,5H2,1H3,(H2,11,14)
InChIKeyFTYKVWXMCUXOBJ-UHFFFAOYSA-N
XLogP-1.17
TPSA133.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63731478
N-(2,3-dihydroxypropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 66176261
N-(2-aminobutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63730962
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid
CID 43245029
2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide
CID 30713545
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
3-methyl-N-(oxan-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110736456
N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 119989748
N-(5-hydroxypentyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 107319361
N-[2-(tert-butylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 56806975
2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide
CID 55054065
3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648175

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide?
The IUPAC name of 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide (CID 113358305) is 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide.
What is the SMILES notation for 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide?
The canonical SMILES for 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide is Cn1c(=O)oc2cc(S(=O)(=O)NOCC(N)=O)ccc21.
What is the InChIKey of 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide?
The InChIKey is FTYKVWXMCUXOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O6S/c1-13-7-3-2-6(4-8(7)19-10(13)15)20(16,17)12-18-5-9(11)14/h2-4,12H,5H2,1H3,(H2,11,14).
What are the key properties of 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide?
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide has a molecular weight of 301.28 g/mol, XLogP of -1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide is sourced from PubChem (CID 113358305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).