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

C9H7FN2OS — CID 20566321

IUPAC3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESFc1ccc(SCc2ncon2)cc1
InChIInChI=1S/C9H7FN2OS/c10-7-1-3-8(4-2-7)14-5-9-11-6-13-12-9/h1-4,6H,5H2
InChIKeyXGAVRAKIZDQTJA-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.50
Rot. Bonds3

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

3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 20566321) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID20566321
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESFc1ccc(SCc2ncon2)cc1
InChIInChI=1S/C9H7FN2OS/c10-7-1-3-8(4-2-7)14-5-9-11-6-13-12-9/h1-4,6H,5H2
InChIKeyXGAVRAKIZDQTJA-UHFFFAOYSA-N
XLogP2.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole (CID 20566321) is 3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole is Fc1ccc(SCc2ncon2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is XGAVRAKIZDQTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c10-7-1-3-8(4-2-7)14-5-9-11-6-13-12-9/h1-4,6H,5H2.
What are the key properties of 3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole?
3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 210.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 20566321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).