3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

C12H11N5O4S — CID 119051525

IUPAC3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCc1noc2ncc(S(=O)(=O)Nc3ccc(=O)[nH]n3)cc12
InChIInChI=1S/C12H11N5O4S/c1-2-9-8-5-7(6-13-12(8)21-16-9)22(19,20)17-10-3-4-11(18)15-14-10/h3-6H,2H2,1H3,(H,14,17)(H,15,18)
InChIKeyDESDDCCUZILHGU-UHFFFAOYSA-N
MW321.32 g/mol
LogP0.67
Rot. Bonds4

About 3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 119051525) has the molecular formula C12H11N5O4S and a molecular weight of 321.32 g/mol. Its IUPAC name is 3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound Name3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID119051525
Molecular FormulaC12H11N5O4S
Molecular Weight321.32 g/mol
Exact Mass321.05
IUPAC Name3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCc1noc2ncc(S(=O)(=O)Nc3ccc(=O)[nH]n3)cc12
InChIInChI=1S/C12H11N5O4S/c1-2-9-8-5-7(6-13-12(8)21-16-9)22(19,20)17-10-3-4-11(18)15-14-10/h3-6H,2H2,1H3,(H,14,17)(H,15,18)
InChIKeyDESDDCCUZILHGU-UHFFFAOYSA-N
XLogP0.67
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 42931700
CID 42931700
CID 47003044
CID 47003044
CID 71849642
CID 71849642
CID 71993016
CID 71993016
CID 71997371
CID 71997371
CID 72008769
CID 72008769
CID 72023087
CID 72023087
CID 72024685
CID 72024685
CID 72108899
CID 72108899
CID 71757015
CID 71757015
CID 71757016
CID 71757016
CID 71757017
CID 71757017

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of 3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (CID 119051525) is 3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for 3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for 3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is CCc1noc2ncc(S(=O)(=O)Nc3ccc(=O)[nH]n3)cc12.
What is the InChIKey of 3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is DESDDCCUZILHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O4S/c1-2-9-8-5-7(6-13-12(8)21-16-9)22(19,20)17-10-3-4-11(18)15-14-10/h3-6H,2H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 321.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 119051525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).