2-[(4-fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole

C13H9FN4OS — CID 71456715

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESFc1ccc(CSc2nnc(-c3cnccn3)o2)cc1
InChIInChI=1S/C13H9FN4OS/c14-10-3-1-9(2-4-10)8-20-13-18-17-12(19-13)11-7-15-5-6-16-11/h1-7H,8H2
InChIKeyYFFBGGSTRHCYDH-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.96
Rot. Bonds4

About 2-[(4-fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole

2-[(4-fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole (PubChem CID 71456715) has the molecular formula C13H9FN4OS and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
PubChem CID71456715
Molecular FormulaC13H9FN4OS
Molecular Weight288.31 g/mol
Exact Mass288.05
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESFc1ccc(CSc2nnc(-c3cnccn3)o2)cc1
InChIInChI=1S/C13H9FN4OS/c14-10-3-1-9(2-4-10)8-20-13-18-17-12(19-13)11-7-15-5-6-16-11/h1-7H,8H2
InChIKeyYFFBGGSTRHCYDH-UHFFFAOYSA-N
XLogP2.96
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole (CID 71456715) is 2-[(4-fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole is Fc1ccc(CSc2nnc(-c3cnccn3)o2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The InChIKey is YFFBGGSTRHCYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4OS/c14-10-3-1-9(2-4-10)8-20-13-18-17-12(19-13)11-7-15-5-6-16-11/h1-7H,8H2.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
2-[(4-fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole has a molecular weight of 288.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 71456715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).