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

C11H9F2N3OS — CID 106922820

IUPAC3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Sc2nc(C)co2)c(F)c1
InChIInChI=1S/C11H9F2N3OS/c1-5-4-17-11(16-5)18-9-7(12)2-6(10(14)15)3-8(9)13/h2-4H,1H3,(H3,14,15)
InChIKeyULFHKODOZMYCIF-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.70
Rot. Bonds3

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

3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide (PubChem CID 106922820) has the molecular formula C11H9F2N3OS and a molecular weight of 269.28 g/mol. Its IUPAC name is 3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide
PubChem CID106922820
Molecular FormulaC11H9F2N3OS
Molecular Weight269.28 g/mol
Exact Mass269.04
IUPAC Name3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Sc2nc(C)co2)c(F)c1
InChIInChI=1S/C11H9F2N3OS/c1-5-4-17-11(16-5)18-9-7(12)2-6(10(14)15)3-8(9)13/h2-4H,1H3,(H3,14,15)
InChIKeyULFHKODOZMYCIF-UHFFFAOYSA-N
XLogP2.70
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide (CID 106922820) is 3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(Sc2nc(C)co2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide?
The InChIKey is ULFHKODOZMYCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3OS/c1-5-4-17-11(16-5)18-9-7(12)2-6(10(14)15)3-8(9)13/h2-4H,1H3,(H3,14,15).
What are the key properties of 3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide?
3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide has a molecular weight of 269.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide is sourced from PubChem (CID 106922820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).