N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide

C9H8N4O2S — CID 136914225

IUPACN'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccncc1Sc1ncco1
InChIInChI=1S/C9H8N4O2S/c10-8(13-14)6-1-2-11-5-7(6)16-9-12-3-4-15-9/h1-5,14H,(H2,10,13)
InChIKeyNEXJFVQBPGRZMU-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.32
Rot. Bonds3

About N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide

N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide (PubChem CID 136914225) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide
PubChem CID136914225
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC NameN'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccncc1Sc1ncco1
InChIInChI=1S/C9H8N4O2S/c10-8(13-14)6-1-2-11-5-7(6)16-9-12-3-4-15-9/h1-5,14H,(H2,10,13)
InChIKeyNEXJFVQBPGRZMU-UHFFFAOYSA-N
XLogP1.32
TPSA97.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide
CID 136678514
N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyrazine-2-carboximidamide
CID 136914221
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide
CID 136914226
2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 106924193
N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 106922583
2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 107118432
N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 106922582
5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922788
N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide
CID 137095860
N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide
CID 136925054
5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921307
N'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide
CID 168908867

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide (CID 136914225) is N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide is N/C(=N/O)c1ccncc1Sc1ncco1.
What is the InChIKey of N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide?
The InChIKey is NEXJFVQBPGRZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c10-8(13-14)6-1-2-11-5-7(6)16-9-12-3-4-15-9/h1-5,14H,(H2,10,13).
What are the key properties of N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide?
N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide has a molecular weight of 236.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide is sourced from PubChem (CID 136914225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).