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

C11H11FN4O2S — CID 76994451

IUPAC5-fluoro-N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide
SMILESCc1nnc(SCc2ccc(F)cc2C(N)=NO)o1
InChIInChI=1S/C11H11FN4O2S/c1-6-14-15-11(18-6)19-5-7-2-3-8(12)4-9(7)10(13)16-17/h2-4,17H,5H2,1H3,(H2,13,16)
InChIKeyPJOHDUUVMRZFHM-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.90
Rot. Bonds4

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

5-fluoro-N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide (PubChem CID 76994451) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide
PubChem CID76994451
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Name5-fluoro-N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide
SMILESCc1nnc(SCc2ccc(F)cc2C(N)=NO)o1
InChIInChI=1S/C11H11FN4O2S/c1-6-14-15-11(18-6)19-5-7-2-3-8(12)4-9(7)10(13)16-17/h2-4,17H,5H2,1H3,(H2,13,16)
InChIKeyPJOHDUUVMRZFHM-UHFFFAOYSA-N
XLogP1.90
TPSA97.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide (CID 76994451) is 5-fluoro-N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide is Cc1nnc(SCc2ccc(F)cc2C(N)=NO)o1.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide?
The InChIKey is PJOHDUUVMRZFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c1-6-14-15-11(18-6)19-5-7-2-3-8(12)4-9(7)10(13)16-17/h2-4,17H,5H2,1H3,(H2,13,16).
What are the key properties of 5-fluoro-N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide has a molecular weight of 282.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide is sourced from PubChem (CID 76994451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).