2-(2-methoxyethylsulfanyl)-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole

C11H13N3O2S — CID 3219523

IUPAC2-(2-methoxyethylsulfanyl)-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole
SMILESCOCCSc1nnc(Cc2ccccn2)o1
InChIInChI=1S/C11H13N3O2S/c1-15-6-7-17-11-14-13-10(16-11)8-9-4-2-3-5-12-9/h2-5H,6-8H2,1H3
InChIKeyVJPYBLRHFWVCBE-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.79
Rot. Bonds6

About 2-(2-methoxyethylsulfanyl)-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole

2-(2-methoxyethylsulfanyl)-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole (PubChem CID 3219523) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole
PubChem CID3219523
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-(2-methoxyethylsulfanyl)-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole
SMILESCOCCSc1nnc(Cc2ccccn2)o1
InChIInChI=1S/C11H13N3O2S/c1-15-6-7-17-11-14-13-10(16-11)8-9-4-2-3-5-12-9/h2-5H,6-8H2,1H3
InChIKeyVJPYBLRHFWVCBE-UHFFFAOYSA-N
XLogP1.79
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole (CID 3219523) is 2-(2-methoxyethylsulfanyl)-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole is COCCSc1nnc(Cc2ccccn2)o1.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is VJPYBLRHFWVCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-15-6-7-17-11-14-13-10(16-11)8-9-4-2-3-5-12-9/h2-5H,6-8H2,1H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole?
2-(2-methoxyethylsulfanyl)-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 251.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 3219523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).