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

C15H9BrN6O2S — CID 121290399

IUPAC2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESBrc1cnccc1-c1nnc(SCc2nc(-c3cccnc3)no2)o1
InChIInChI=1S/C15H9BrN6O2S/c16-11-7-18-5-3-10(11)14-20-21-15(23-14)25-8-12-19-13(22-24-12)9-2-1-4-17-6-9/h1-7H,8H2
InChIKeyDEXIRJQCFBNUEX-UHFFFAOYSA-N
MW417.25 g/mol
LogP3.63
Rot. Bonds5

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

2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 121290399) has the molecular formula C15H9BrN6O2S and a molecular weight of 417.25 g/mol. Its IUPAC name is 2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID121290399
Molecular FormulaC15H9BrN6O2S
Molecular Weight417.25 g/mol
Exact Mass415.97
IUPAC Name2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESBrc1cnccc1-c1nnc(SCc2nc(-c3cccnc3)no2)o1
InChIInChI=1S/C15H9BrN6O2S/c16-11-7-18-5-3-10(11)14-20-21-15(23-14)25-8-12-19-13(22-24-12)9-2-1-4-17-6-9/h1-7H,8H2
InChIKeyDEXIRJQCFBNUEX-UHFFFAOYSA-N
XLogP3.63
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 121290445
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 31407605
2-(2-chloro-4-pyridinyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 121290391
2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid
CID 112683746
2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 121290444
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
3-(2-nitrophenyl)-5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 121290405
2-(2-methylphenyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 8889827
2-(2-fluorophenyl)-5-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 8522890
2-(2-bromophenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29183417
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 8522043
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 121290399) is 2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is Brc1cnccc1-c1nnc(SCc2nc(-c3cccnc3)no2)o1.
What is the InChIKey of 2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is DEXIRJQCFBNUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN6O2S/c16-11-7-18-5-3-10(11)14-20-21-15(23-14)25-8-12-19-13(22-24-12)9-2-1-4-17-6-9/h1-7H,8H2.
What are the key properties of 2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 417.25 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 121290399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).