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

C15H10N6O2S — CID 121290445

IUPAC2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESc1cncc(-c2noc(CSc3nnc(-c4cccnc4)o3)n2)c1
InChIInChI=1S/C15H10N6O2S/c1-3-10(7-16-5-1)13-18-12(23-21-13)9-24-15-20-19-14(22-15)11-4-2-6-17-8-11/h1-8H,9H2
InChIKeyHOJBGLWDJIFWMY-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.87
Rot. Bonds5

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

2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 121290445) has the molecular formula C15H10N6O2S and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID121290445
Molecular FormulaC15H10N6O2S
Molecular Weight338.35 g/mol
Exact Mass338.06
IUPAC Name2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESc1cncc(-c2noc(CSc3nnc(-c4cccnc4)o3)n2)c1
InChIInChI=1S/C15H10N6O2S/c1-3-10(7-16-5-1)13-18-12(23-21-13)9-24-15-20-19-14(22-15)11-4-2-6-17-8-11/h1-8H,9H2
InChIKeyHOJBGLWDJIFWMY-UHFFFAOYSA-N
XLogP2.87
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 31407605
2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 121290399
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29400232
2-(2-chloro-4-pyridinyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 121290391
2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol
CID 3219549
2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 121290444
2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid
CID 112683746
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 653798
2-(4-methylphenyl)-5-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 8528974
2-(3,5-dimethylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 46691356
3-(2-nitrophenyl)-5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 121290405
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 121290445) is 2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is c1cncc(-c2noc(CSc3nnc(-c4cccnc4)o3)n2)c1.
What is the InChIKey of 2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is HOJBGLWDJIFWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O2S/c1-3-10(7-16-5-1)13-18-12(23-21-13)9-24-15-20-19-14(22-15)11-4-2-6-17-8-11/h1-8H,9H2.
What are the key properties of 2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 338.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 121290445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).