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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Related Compounds

7-Phenyl-1-[5-(Pyridin-2-Yl)-1,3,4-Oxadiazol-2-Yl]heptan-1-One
CID 11484453
Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CID 805390
GSK-3 Inhibitor II
CID 6539732
6-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-hexan-1-one
CID 11652690
8-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)octan-1-one
CID 11695972
9-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)nonan-1-one
CID 11696246
N-(3-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 2746574
4-{5-[(4-Fluorobenzyl)thio]-1,3,4-oxadiazol-2-yl}pyridine
CID 975378
4-(5-{[(3-Fluorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 6539734
N-phenyl-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3153962
2-(5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-indan-1-one
CID 644928
2-[(4-Fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 1155333

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).