[1,2]oxazolo[4,5-b]pyridine-3-sulfonamide

C6H5N3O3S — CID 19854216

IUPAC[1,2]oxazolo[4,5-b]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1noc2cccnc12
InChIInChI=1S/C6H5N3O3S/c7-13(10,11)6-5-4(12-9-6)2-1-3-8-5/h1-3H,(H2,7,10,11)
InChIKeyVFGJIUOWBWJSHG-UHFFFAOYSA-N
MW199.19 g/mol
LogP-0.13
Rot. Bonds1

About [1,2]oxazolo[4,5-b]pyridine-3-sulfonamide

[1,2]oxazolo[4,5-b]pyridine-3-sulfonamide (PubChem CID 19854216) has the molecular formula C6H5N3O3S and a molecular weight of 199.19 g/mol. Its IUPAC name is [1,2]oxazolo[4,5-b]pyridine-3-sulfonamide.

Molecular Properties

Compound Name[1,2]oxazolo[4,5-b]pyridine-3-sulfonamide
PubChem CID19854216
Molecular FormulaC6H5N3O3S
Molecular Weight199.19 g/mol
Exact Mass199.01
IUPAC Name[1,2]oxazolo[4,5-b]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1noc2cccnc12
InChIInChI=1S/C6H5N3O3S/c7-13(10,11)6-5-4(12-9-6)2-1-3-8-5/h1-3H,(H2,7,10,11)
InChIKeyVFGJIUOWBWJSHG-UHFFFAOYSA-N
XLogP-0.13
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,2]oxazolo[4,5-b]pyridine-3-sulfonamide?
The IUPAC name of [1,2]oxazolo[4,5-b]pyridine-3-sulfonamide (CID 19854216) is [1,2]oxazolo[4,5-b]pyridine-3-sulfonamide.
What is the SMILES notation for [1,2]oxazolo[4,5-b]pyridine-3-sulfonamide?
The canonical SMILES for [1,2]oxazolo[4,5-b]pyridine-3-sulfonamide is NS(=O)(=O)c1noc2cccnc12.
What is the InChIKey of [1,2]oxazolo[4,5-b]pyridine-3-sulfonamide?
The InChIKey is VFGJIUOWBWJSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O3S/c7-13(10,11)6-5-4(12-9-6)2-1-3-8-5/h1-3H,(H2,7,10,11).
What are the key properties of [1,2]oxazolo[4,5-b]pyridine-3-sulfonamide?
[1,2]oxazolo[4,5-b]pyridine-3-sulfonamide has a molecular weight of 199.19 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2]oxazolo[4,5-b]pyridine-3-sulfonamide is sourced from PubChem (CID 19854216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).