5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C20H15N3OS — CID 8796764

IUPAC5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(CSc2ccccc2-c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C20H15N3OS/c1-2-6-15(7-3-1)14-25-18-9-5-4-8-17(18)20-22-19(23-24-20)16-10-12-21-13-11-16/h1-13H,14H2
InChIKeyOAAIBKZRQLTYKG-UHFFFAOYSA-N
MW345.43 g/mol
LogP5.09
Rot. Bonds5

About 5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 8796764) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID8796764
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(CSc2ccccc2-c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C20H15N3OS/c1-2-6-15(7-3-1)14-25-18-9-5-4-8-17(18)20-22-19(23-24-20)16-10-12-21-13-11-16/h1-13H,14H2
InChIKeyOAAIBKZRQLTYKG-UHFFFAOYSA-N
XLogP5.09
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.43
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene
CID 5199420
5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 752713
2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole
CID 117061254
phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63850087
5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 8778801
3-(2-methoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527966
N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 30331950
5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99963071
1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]propane-2-thiol
CID 143910223
2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 63793365
2-(pyridin-4-ylmethylsulfanyl)aniline
CID 12618215
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949

Frequently Asked Questions

What is the IUPAC name of 5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 8796764) is 5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is c1ccc(CSc2ccccc2-c2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is OAAIBKZRQLTYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-2-6-15(7-3-1)14-25-18-9-5-4-8-17(18)20-22-19(23-24-20)16-10-12-21-13-11-16/h1-13H,14H2.
What are the key properties of 5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 345.43 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 8796764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).