3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide

C10H7F2N3O2S — CID 106922576

IUPAC3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)c(Sc2ncco2)c(F)c1
InChIInChI=1S/C10H7F2N3O2S/c11-6-3-5(9(13)15-16)4-7(12)8(6)18-10-14-1-2-17-10/h1-4,16H,(H2,13,15)
InChIKeyVGHISZQRJMEUBF-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.20
Rot. Bonds3

About 3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide

3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (PubChem CID 106922576) has the molecular formula C10H7F2N3O2S and a molecular weight of 271.25 g/mol. Its IUPAC name is 3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
PubChem CID106922576
Molecular FormulaC10H7F2N3O2S
Molecular Weight271.25 g/mol
Exact Mass271.02
IUPAC Name3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)c(Sc2ncco2)c(F)c1
InChIInChI=1S/C10H7F2N3O2S/c11-6-3-5(9(13)15-16)4-7(12)8(6)18-10-14-1-2-17-10/h1-4,16H,(H2,13,15)
InChIKeyVGHISZQRJMEUBF-UHFFFAOYSA-N
XLogP2.20
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
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

3,5-Difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106922355
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
3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922599
N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 106922601
3,5-difluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide
CID 106922620
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

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (CID 106922576) is 3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is N/C(=N/O)c1cc(F)c(Sc2ncco2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The InChIKey is VGHISZQRJMEUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O2S/c11-6-3-5(9(13)15-16)4-7(12)8(6)18-10-14-1-2-17-10/h1-4,16H,(H2,13,15).
What are the key properties of 3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide has a molecular weight of 271.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 106922576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).