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

C9H6ClFN2OS — CID 66065723

IUPAC5-chloro-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESFc1ccc(SCc2noc(Cl)n2)cc1
InChIInChI=1S/C9H6ClFN2OS/c10-9-12-8(13-14-9)5-15-7-3-1-6(11)2-4-7/h1-4H,5H2
InChIKeyJBLSAWZQQFYOEJ-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.15
Rot. Bonds3

About 5-chloro-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole

5-chloro-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 66065723) has the molecular formula C9H6ClFN2OS and a molecular weight of 244.68 g/mol. Its IUPAC name is 5-chloro-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID66065723
Molecular FormulaC9H6ClFN2OS
Molecular Weight244.68 g/mol
Exact Mass243.99
IUPAC Name5-chloro-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESFc1ccc(SCc2noc(Cl)n2)cc1
InChIInChI=1S/C9H6ClFN2OS/c10-9-12-8(13-14-9)5-15-7-3-1-6(11)2-4-7/h1-4H,5H2
InChIKeyJBLSAWZQQFYOEJ-UHFFFAOYSA-N
XLogP3.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole (CID 66065723) is 5-chloro-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole is Fc1ccc(SCc2noc(Cl)n2)cc1.
What is the InChIKey of 5-chloro-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is JBLSAWZQQFYOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2OS/c10-9-12-8(13-14-9)5-15-7-3-1-6(11)2-4-7/h1-4H,5H2.
What are the key properties of 5-chloro-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole?
5-chloro-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 244.68 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 66065723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).