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

C12H12FN3O2S — CID 106922722

IUPAC5-fluoro-N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzenecarboximidamide
SMILESCc1coc(SCc2ccc(F)cc2/C(N)=N/O)n1
InChIInChI=1S/C12H12FN3O2S/c1-7-5-18-12(15-7)19-6-8-2-3-9(13)4-10(8)11(14)16-17/h2-5,17H,6H2,1H3,(H2,14,16)
InChIKeyRRFGFEZSGSBZTE-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.51
Rot. Bonds4

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

5-fluoro-N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzenecarboximidamide (PubChem CID 106922722) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzenecarboximidamide
PubChem CID106922722
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name5-fluoro-N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzenecarboximidamide
SMILESCc1coc(SCc2ccc(F)cc2/C(N)=N/O)n1
InChIInChI=1S/C12H12FN3O2S/c1-7-5-18-12(15-7)19-6-8-2-3-9(13)4-10(8)11(14)16-17/h2-5,17H,6H2,1H3,(H2,14,16)
InChIKeyRRFGFEZSGSBZTE-UHFFFAOYSA-N
XLogP2.51
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
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 5-fluoro-N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzenecarboximidamide (CID 106922722) is 5-fluoro-N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzenecarboximidamide is Cc1coc(SCc2ccc(F)cc2/C(N)=N/O)n1.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzenecarboximidamide?
The InChIKey is RRFGFEZSGSBZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-7-5-18-12(15-7)19-6-8-2-3-9(13)4-10(8)11(14)16-17/h2-5,17H,6H2,1H3,(H2,14,16).
What are the key properties of 5-fluoro-N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzenecarboximidamide has a molecular weight of 281.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzenecarboximidamide is sourced from PubChem (CID 106922722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).