5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole

C9H8ClN3O — CID 82741728

IUPAC5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCCc1cccnc1-c1noc(Cl)n1
InChIInChI=1S/C9H8ClN3O/c1-2-6-4-3-5-11-7(6)8-12-9(10)14-13-8/h3-5H,2H2,1H3
InChIKeyKHRMFACQJSQYEN-UHFFFAOYSA-N
MW209.64 g/mol
LogP2.35
Rot. Bonds2

About 5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole

5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 82741728) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID82741728
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCCc1cccnc1-c1noc(Cl)n1
InChIInChI=1S/C9H8ClN3O/c1-2-6-4-3-5-11-7(6)8-12-9(10)14-13-8/h3-5H,2H2,1H3
InChIKeyKHRMFACQJSQYEN-UHFFFAOYSA-N
XLogP2.35
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole (CID 82741728) is 5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole is CCc1cccnc1-c1noc(Cl)n1.
What is the InChIKey of 5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is KHRMFACQJSQYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-2-6-4-3-5-11-7(6)8-12-9(10)14-13-8/h3-5H,2H2,1H3.
What are the key properties of 5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole?
5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 209.64 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 82741728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).