3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide

C11H10FN3O2S — CID 106922710

IUPAC3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)cc(CSc2ncco2)c1
InChIInChI=1S/C11H10FN3O2S/c12-9-4-7(3-8(5-9)10(13)15-16)6-18-11-14-1-2-17-11/h1-5,16H,6H2,(H2,13,15)
InChIKeyXUYLYHHCTGYNBQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.20
Rot. Bonds4

About 3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide

3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide (PubChem CID 106922710) has the molecular formula C11H10FN3O2S and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide
PubChem CID106922710
Molecular FormulaC11H10FN3O2S
Molecular Weight267.28 g/mol
Exact Mass267.05
IUPAC Name3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)cc(CSc2ncco2)c1
InChIInChI=1S/C11H10FN3O2S/c12-9-4-7(3-8(5-9)10(13)15-16)6-18-11-14-1-2-17-11/h1-5,16H,6H2,(H2,13,15)
InChIKeyXUYLYHHCTGYNBQ-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-[(2,6-Difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole
CID 67022564
2-(3-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106921761
2-(4-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106921768
3-Fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921775
2-Fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921776
3-Fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921777
4-Fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921786
1-(2-Fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
CID 106921811
1-(2-Fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)propan-2-amine
CID 106921815
1-(4-Fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
CID 106921833
2-(2-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106921840
3-Fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921857

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide (CID 106922710) is 3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide is N/C(=N/O)c1cc(F)cc(CSc2ncco2)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide?
The InChIKey is XUYLYHHCTGYNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c12-9-4-7(3-8(5-9)10(13)15-16)6-18-11-14-1-2-17-11/h1-5,16H,6H2,(H2,13,15).
What are the key properties of 3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-5-(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 3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide is sourced from PubChem (CID 106922710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).