6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide

C8H6FN3O2 — CID 136969997

IUPAC6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide
SMILESN/C(=N\O)c1noc2cc(F)ccc12
InChIInChI=1S/C8H6FN3O2/c9-4-1-2-5-6(3-4)14-12-7(5)8(10)11-13/h1-3,13H,(H2,10,11)
InChIKeyWAQMHKRETZDKMV-UHFFFAOYSA-N
MW195.15 g/mol
LogP1.06
Rot. Bonds1

About 6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide

6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide (PubChem CID 136969997) has the molecular formula C8H6FN3O2 and a molecular weight of 195.15 g/mol. Its IUPAC name is 6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide.

Molecular Properties

Compound Name6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide
PubChem CID136969997
Molecular FormulaC8H6FN3O2
Molecular Weight195.15 g/mol
Exact Mass195.04
IUPAC Name6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide
SMILESN/C(=N\O)c1noc2cc(F)ccc12
InChIInChI=1S/C8H6FN3O2/c9-4-1-2-5-6(3-4)14-12-7(5)8(10)11-13/h1-3,13H,(H2,10,11)
InChIKeyWAQMHKRETZDKMV-UHFFFAOYSA-N
XLogP1.06
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide?
The IUPAC name of 6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide (CID 136969997) is 6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide.
What is the SMILES notation for 6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide?
The canonical SMILES for 6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide is N/C(=N\O)c1noc2cc(F)ccc12.
What is the InChIKey of 6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide?
The InChIKey is WAQMHKRETZDKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O2/c9-4-1-2-5-6(3-4)14-12-7(5)8(10)11-13/h1-3,13H,(H2,10,11).
What are the key properties of 6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide?
6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide has a molecular weight of 195.15 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide is sourced from PubChem (CID 136969997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).