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

C11H10FN3O2S — CID 106922640

IUPAC3-fluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide
SMILESCc1coc(Sc2ccc(/C(N)=N/O)cc2F)n1
InChIInChI=1S/C11H10FN3O2S/c1-6-5-17-11(14-6)18-9-3-2-7(4-8(9)12)10(13)15-16/h2-5,16H,1H3,(H2,13,15)
InChIKeyATGDVPFRCRSCOM-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.37
Rot. Bonds3

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

3-fluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide (PubChem CID 106922640) has the molecular formula C11H10FN3O2S and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide
PubChem CID106922640
Molecular FormulaC11H10FN3O2S
Molecular Weight267.29 g/mol
Exact Mass267.05
IUPAC Name3-fluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide
SMILESCc1coc(Sc2ccc(/C(N)=N/O)cc2F)n1
InChIInChI=1S/C11H10FN3O2S/c1-6-5-17-11(14-6)18-9-3-2-7(4-8(9)12)10(13)15-16/h2-5,16H,1H3,(H2,13,15)
InChIKeyATGDVPFRCRSCOM-UHFFFAOYSA-N
XLogP2.37
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.37
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-fluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide (CID 106922640) is 3-fluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide is Cc1coc(Sc2ccc(/C(N)=N/O)cc2F)n1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide?
The InChIKey is ATGDVPFRCRSCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c1-6-5-17-11(14-6)18-9-3-2-7(4-8(9)12)10(13)15-16/h2-5,16H,1H3,(H2,13,15).
What are the key properties of 3-fluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide has a molecular weight of 267.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzenecarboximidamide is sourced from PubChem (CID 106922640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).