3-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-oxadiazole

C9H7FN2O2S — CID 64716705

IUPAC3-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-oxadiazole
SMILESO=S(Cc1ncon1)c1ccc(F)cc1
InChIInChI=1S/C9H7FN2O2S/c10-7-1-3-8(4-2-7)15(13)5-9-11-6-14-12-9/h1-4,6H,5H2
InChIKeyUQBYZCIALVXVFO-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.52
Rot. Bonds3

About 3-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-oxadiazole

3-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-oxadiazole (PubChem CID 64716705) has the molecular formula C9H7FN2O2S and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-oxadiazole
PubChem CID64716705
Molecular FormulaC9H7FN2O2S
Molecular Weight226.23 g/mol
Exact Mass226.02
IUPAC Name3-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-oxadiazole
SMILESO=S(Cc1ncon1)c1ccc(F)cc1
InChIInChI=1S/C9H7FN2O2S/c10-7-1-3-8(4-2-7)15(13)5-9-11-6-14-12-9/h1-4,6H,5H2
InChIKeyUQBYZCIALVXVFO-UHFFFAOYSA-N
XLogP1.52
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-oxadiazole (CID 64716705) is 3-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-oxadiazole is O=S(Cc1ncon1)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-oxadiazole?
The InChIKey is UQBYZCIALVXVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2S/c10-7-1-3-8(4-2-7)15(13)5-9-11-6-14-12-9/h1-4,6H,5H2.
What are the key properties of 3-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-oxadiazole?
3-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-oxadiazole has a molecular weight of 226.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfinylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 64716705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).