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

C14H10FN3OS — CID 6539734

IUPAC2-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFc1cccc(CSc2nnc(-c3ccncc3)o2)c1
InChIInChI=1S/C14H10FN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2
InChIKeyXEUMIWURCLCOPI-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.56
Rot. Bonds4

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

2-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 6539734) has the molecular formula C14H10FN3OS and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID6539734
Molecular FormulaC14H10FN3OS
Molecular Weight287.32 g/mol
Exact Mass287.05
IUPAC Name2-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFc1cccc(CSc2nnc(-c3ccncc3)o2)c1
InChIInChI=1S/C14H10FN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2
InChIKeyXEUMIWURCLCOPI-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

Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CID 805390
2-Chlorobenzyl 5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl sulfide
CID 851256
2,5-Bis(4-pyridyl)-1,3,4-oxadiazole
CID 699787
4-(5-{[(3-Chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 6539731
GSK-3 Inhibitor II
CID 6539732
(1R,2R)-N-(cyanomethyl)-2-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)cyclohexane-1-carboxamide
CID 10108990
N-(2,5-dimethylphenyl)-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 934375
Methyl 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoate
CID 888648
2-[(5-Pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 6483846
4-{5-[(4-Fluorobenzyl)thio]-1,3,4-oxadiazol-2-yl}pyridine
CID 975378
2-[4-({[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)phenyl]acetic acid
CID 6539718
Methyl 3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoate
CID 6539735

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 6539734) is 2-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole is Fc1cccc(CSc2nnc(-c3ccncc3)o2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is XEUMIWURCLCOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2.
What are the key properties of 2-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-4-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-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 6539734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).