3,5-difluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide

C11H9F2N3O2S — CID 106922620

IUPAC3,5-difluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide
SMILESCc1coc(Sc2c(F)cc(C(N)=NO)cc2F)n1
InChIInChI=1S/C11H9F2N3O2S/c1-5-4-18-11(15-5)19-9-7(12)2-6(3-8(9)13)10(14)16-17/h2-4,17H,1H3,(H2,14,16)
InChIKeySSEDUUHWOZKPEN-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.51
Rot. Bonds3

About 3,5-difluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide

3,5-difluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide (PubChem CID 106922620) has the molecular formula C11H9F2N3O2S and a molecular weight of 285.28 g/mol. Its IUPAC name is 3,5-difluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide
PubChem CID106922620
Molecular FormulaC11H9F2N3O2S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name3,5-difluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide
SMILESCc1coc(Sc2c(F)cc(C(N)=NO)cc2F)n1
InChIInChI=1S/C11H9F2N3O2S/c1-5-4-18-11(15-5)19-9-7(12)2-6(3-8(9)13)10(14)16-17/h2-4,17H,1H3,(H2,14,16)
InChIKeySSEDUUHWOZKPEN-UHFFFAOYSA-N
XLogP2.51
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide (CID 106922620) is 3,5-difluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide is Cc1coc(Sc2c(F)cc(C(N)=NO)cc2F)n1.
What is the InChIKey of 3,5-difluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide?
The InChIKey is SSEDUUHWOZKPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2S/c1-5-4-18-11(15-5)19-9-7(12)2-6(3-8(9)13)10(14)16-17/h2-4,17H,1H3,(H2,14,16).
What are the key properties of 3,5-difluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide?
3,5-difluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide has a molecular weight of 285.28 g/mol, XLogP of 2.51, 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-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide is sourced from PubChem (CID 106922620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).