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

C14H10FN3OS — CID 3161726

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESFc1ccc(CSc2nnc(-c3ccccn3)o2)cc1
InChIInChI=1S/C14H10FN3OS/c15-11-6-4-10(5-7-11)9-20-14-18-17-13(19-14)12-3-1-2-8-16-12/h1-8H,9H2
InChIKeyZZTDOUFMOFPWGX-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.56
Rot. Bonds4

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

2-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 3161726) has the molecular formula C14H10FN3OS and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID3161726
Molecular FormulaC14H10FN3OS
Molecular Weight287.32 g/mol
Exact Mass287.05
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESFc1ccc(CSc2nnc(-c3ccccn3)o2)cc1
InChIInChI=1S/C14H10FN3OS/c15-11-6-4-10(5-7-11)9-20-14-18-17-13(19-14)12-3-1-2-8-16-12/h1-8H,9H2
InChIKeyZZTDOUFMOFPWGX-UHFFFAOYSA-N
XLogP3.56
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 3161726) is 2-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,3,4-oxadiazole is Fc1ccc(CSc2nnc(-c3ccccn3)o2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is ZZTDOUFMOFPWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS/c15-11-6-4-10(5-7-11)9-20-14-18-17-13(19-14)12-3-1-2-8-16-12/h1-8H,9H2.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 287.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 3161726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).