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

C10H7F3N4O2S — CID 106922575

IUPACN'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESN/C(=N/O)c1ccc(C(F)(F)F)nc1Sc1ncco1
InChIInChI=1S/C10H7F3N4O2S/c11-10(12,13)6-2-1-5(7(14)17-18)8(16-6)20-9-15-3-4-19-9/h1-4,18H,(H2,14,17)
InChIKeyDYGWQXNXIRJPRB-UHFFFAOYSA-N
MW304.25 g/mol
LogP2.33
Rot. Bonds3

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

N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 106922575) has the molecular formula C10H7F3N4O2S and a molecular weight of 304.25 g/mol. Its IUPAC name is N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID106922575
Molecular FormulaC10H7F3N4O2S
Molecular Weight304.25 g/mol
Exact Mass304.02
IUPAC NameN'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESN/C(=N/O)c1ccc(C(F)(F)F)nc1Sc1ncco1
InChIInChI=1S/C10H7F3N4O2S/c11-10(12,13)6-2-1-5(7(14)17-18)8(16-6)20-9-15-3-4-19-9/h1-4,18H,(H2,14,17)
InChIKeyDYGWQXNXIRJPRB-UHFFFAOYSA-N
XLogP2.33
TPSA97.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 106922575) is N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide is N/C(=N/O)c1ccc(C(F)(F)F)nc1Sc1ncco1.
What is the InChIKey of N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is DYGWQXNXIRJPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2S/c11-10(12,13)6-2-1-5(7(14)17-18)8(16-6)20-9-15-3-4-19-9/h1-4,18H,(H2,14,17).
What are the key properties of N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 304.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 106922575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).