2-fluoro-N'-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)benzenecarboximidamide

C10H10FN3O3 — CID 141032230

IUPAC2-fluoro-N'-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCOC2=O)cc1F
InChIInChI=1S/C10H10FN3O3/c11-8-5-6(14-3-4-17-10(14)15)1-2-7(8)9(12)13-16/h1-2,5,16H,3-4H2,(H2,12,13)
InChIKeyTYJIAHQPTFYMJP-UHFFFAOYSA-N
MW239.21 g/mol
LogP0.88
Rot. Bonds2

About 2-fluoro-N'-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)benzenecarboximidamide

2-fluoro-N'-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)benzenecarboximidamide (PubChem CID 141032230) has the molecular formula C10H10FN3O3 and a molecular weight of 239.21 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)benzenecarboximidamide
PubChem CID141032230
Molecular FormulaC10H10FN3O3
Molecular Weight239.21 g/mol
Exact Mass239.07
IUPAC Name2-fluoro-N'-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCOC2=O)cc1F
InChIInChI=1S/C10H10FN3O3/c11-8-5-6(14-3-4-17-10(14)15)1-2-7(8)9(12)13-16/h1-2,5,16H,3-4H2,(H2,12,13)
InChIKeyTYJIAHQPTFYMJP-UHFFFAOYSA-N
XLogP0.88
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 50.88
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 2-fluoro-N'-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)benzenecarboximidamide (CID 141032230) is 2-fluoro-N'-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)benzenecarboximidamide is N/C(=N\O)c1ccc(N2CCOC2=O)cc1F.
What is the InChIKey of 2-fluoro-N'-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)benzenecarboximidamide?
The InChIKey is TYJIAHQPTFYMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3/c11-8-5-6(14-3-4-17-10(14)15)1-2-7(8)9(12)13-16/h1-2,5,16H,3-4H2,(H2,12,13).
What are the key properties of 2-fluoro-N'-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)benzenecarboximidamide?
2-fluoro-N'-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)benzenecarboximidamide has a molecular weight of 239.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)benzenecarboximidamide is sourced from PubChem (CID 141032230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).