2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide

C11H10FN3O2S — CID 107118432

IUPAC2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide
SMILESN/C(=N/O)c1cccc(CSc2ncco2)c1F
InChIInChI=1S/C11H10FN3O2S/c12-9-7(6-18-11-14-4-5-17-11)2-1-3-8(9)10(13)15-16/h1-5,16H,6H2,(H2,13,15)
InChIKeyWZVVDWDXJSWDKT-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.20
Rot. Bonds4

About 2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide

2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide (PubChem CID 107118432) has the molecular formula C11H10FN3O2S and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide
PubChem CID107118432
Molecular FormulaC11H10FN3O2S
Molecular Weight267.28 g/mol
Exact Mass267.05
IUPAC Name2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide
SMILESN/C(=N/O)c1cccc(CSc2ncco2)c1F
InChIInChI=1S/C11H10FN3O2S/c12-9-7(6-18-11-14-4-5-17-11)2-1-3-8(9)10(13)15-16/h1-5,16H,6H2,(H2,13,15)
InChIKeyWZVVDWDXJSWDKT-UHFFFAOYSA-N
XLogP2.20
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-fluoro-3-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
CID 107119917
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107118434
2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide
CID 107118354
2-fluoro-N'-hydroxy-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107118364
2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 107117587
2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide
CID 107116628
N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide
CID 76995892
3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 106926135
N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide
CID 136914225
2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 107117299
2-fluoro-N'-hydroxy-3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]benzenecarboximidamide
CID 107117555
5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
CID 106926129

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide (CID 107118432) is 2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide is N/C(=N/O)c1cccc(CSc2ncco2)c1F.
What is the InChIKey of 2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide?
The InChIKey is WZVVDWDXJSWDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c12-9-7(6-18-11-14-4-5-17-11)2-1-3-8(9)10(13)15-16/h1-5,16H,6H2,(H2,13,15).
What are the key properties of 2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide?
2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide has a molecular weight of 267.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-3-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide is sourced from PubChem (CID 107118432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).