2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetic acid

C11H11N3O3S — CID 53337375

IUPAC2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetic acid
SMILESCCc1noc(-c2ccc(SCC(=O)O)nc2)n1
InChIInChI=1S/C11H11N3O3S/c1-2-8-13-11(17-14-8)7-3-4-9(12-5-7)18-6-10(15)16/h3-5H,2,6H2,1H3,(H,15,16)
InChIKeyJLADIGDHRKWRHR-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.87
Rot. Bonds5

About 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetic acid

2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetic acid (PubChem CID 53337375) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetic acid
PubChem CID53337375
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetic acid
SMILESCCc1noc(-c2ccc(SCC(=O)O)nc2)n1
InChIInChI=1S/C11H11N3O3S/c1-2-8-13-11(17-14-8)7-3-4-9(12-5-7)18-6-10(15)16/h3-5H,2,6H2,1H3,(H,15,16)
InChIKeyJLADIGDHRKWRHR-UHFFFAOYSA-N
XLogP1.87
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetic acid (CID 53337375) is 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetic acid is CCc1noc(-c2ccc(SCC(=O)O)nc2)n1.
What is the InChIKey of 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetic acid?
The InChIKey is JLADIGDHRKWRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-2-8-13-11(17-14-8)7-3-4-9(12-5-7)18-6-10(15)16/h3-5H,2,6H2,1H3,(H,15,16).
What are the key properties of 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetic acid?
2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetic acid has a molecular weight of 265.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetic acid is sourced from PubChem (CID 53337375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).