3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide

C10H8FN3O2S — CID 106922599

IUPAC3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Sc2ncco2)c(F)c1
InChIInChI=1S/C10H8FN3O2S/c11-7-5-6(9(12)14-15)1-2-8(7)17-10-13-3-4-16-10/h1-5,15H,(H2,12,14)
InChIKeyCUFPOKTYFJGSTH-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.06
Rot. Bonds3

About 3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (PubChem CID 106922599) has the molecular formula C10H8FN3O2S and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
PubChem CID106922599
Molecular FormulaC10H8FN3O2S
Molecular Weight253.26 g/mol
Exact Mass253.03
IUPAC Name3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Sc2ncco2)c(F)c1
InChIInChI=1S/C10H8FN3O2S/c11-7-5-6(9(12)14-15)1-2-8(7)17-10-13-3-4-16-10/h1-5,15H,(H2,12,14)
InChIKeyCUFPOKTYFJGSTH-UHFFFAOYSA-N
XLogP2.06
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.06
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

3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922576
N'-hydroxy-5-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 106922580
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
CID 106922586
5-fluoro-N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922593
N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 106922601
3-fluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide
CID 106922640
5-fluoro-N'-hydroxy-2-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 106922693
3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 106922710
5-(1,3-Oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 106922777
5-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922786
2-(1,3-Oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
CID 106922787
3-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922790

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (CID 106922599) is 3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is N/C(=N/O)c1ccc(Sc2ncco2)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The InChIKey is CUFPOKTYFJGSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2S/c11-7-5-6(9(12)14-15)1-2-8(7)17-10-13-3-4-16-10/h1-5,15H,(H2,12,14).
What are the key properties of 3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide has a molecular weight of 253.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 106922599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).