N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide

C9H7N5O4S — CID 106922582

IUPACN'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
SMILESN/C(=N/O)c1cnc(Sc2ncco2)c([N+](=O)[O-])c1
InChIInChI=1S/C9H7N5O4S/c10-7(13-15)5-3-6(14(16)17)8(12-4-5)19-9-11-1-2-18-9/h1-4,15H,(H2,10,13)
InChIKeyXTZTYVZAYHRKDI-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.22
Rot. Bonds4

About N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide

N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide (PubChem CID 106922582) has the molecular formula C9H7N5O4S and a molecular weight of 281.25 g/mol. Its IUPAC name is N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
PubChem CID106922582
Molecular FormulaC9H7N5O4S
Molecular Weight281.25 g/mol
Exact Mass281.02
IUPAC NameN'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
SMILESN/C(=N/O)c1cnc(Sc2ncco2)c([N+](=O)[O-])c1
InChIInChI=1S/C9H7N5O4S/c10-7(13-15)5-3-6(14(16)17)8(12-4-5)19-9-11-1-2-18-9/h1-4,15H,(H2,10,13)
InChIKeyXTZTYVZAYHRKDI-UHFFFAOYSA-N
XLogP1.22
TPSA140.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide 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

N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 106922583
N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide
CID 103471011
6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103471009
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103471063
N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyrazine-2-carboximidamide
CID 136914221
N'-hydroxy-6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyridine-3-carboximidamide
CID 107749603
N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide
CID 103470566
5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid
CID 106921062
N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 103470634
N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide
CID 103470281
N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-nitrobenzenecarboximidamide
CID 106922613
N'-hydroxy-6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyridine-3-carboximidamide
CID 103470739

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide (CID 106922582) is N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide is N/C(=N/O)c1cnc(Sc2ncco2)c([N+](=O)[O-])c1.
What is the InChIKey of N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide?
The InChIKey is XTZTYVZAYHRKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O4S/c10-7(13-15)5-3-6(14(16)17)8(12-4-5)19-9-11-1-2-18-9/h1-4,15H,(H2,10,13).
What are the key properties of N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide?
N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide has a molecular weight of 281.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide is sourced from PubChem (CID 106922582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).