5-(2-butoxy-3-pyridinyl)-3-(2,3-dichlorophenyl)-1,2,4-oxadiazole

C17H15Cl2N3O2 — CID 25264246

IUPAC5-(2-butoxy-3-pyridinyl)-3-(2,3-dichlorophenyl)-1,2,4-oxadiazole
SMILESCCCCOc1ncccc1-c1nc(-c2cccc(Cl)c2Cl)no1
InChIInChI=1S/C17H15Cl2N3O2/c1-2-3-10-23-16-12(7-5-9-20-16)17-21-15(22-24-17)11-6-4-8-13(18)14(11)19/h4-9H,2-3,10H2,1H3
InChIKeyOENWBIXTNLKQQI-UHFFFAOYSA-N
MW364.23 g/mol
LogP5.28
Rot. Bonds6

About 5-(2-butoxy-3-pyridinyl)-3-(2,3-dichlorophenyl)-1,2,4-oxadiazole

5-(2-butoxy-3-pyridinyl)-3-(2,3-dichlorophenyl)-1,2,4-oxadiazole (PubChem CID 25264246) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 5-(2-butoxy-3-pyridinyl)-3-(2,3-dichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-butoxy-3-pyridinyl)-3-(2,3-dichlorophenyl)-1,2,4-oxadiazole
PubChem CID25264246
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name5-(2-butoxy-3-pyridinyl)-3-(2,3-dichlorophenyl)-1,2,4-oxadiazole
SMILESCCCCOc1ncccc1-c1nc(-c2cccc(Cl)c2Cl)no1
InChIInChI=1S/C17H15Cl2N3O2/c1-2-3-10-23-16-12(7-5-9-20-16)17-21-15(22-24-17)11-6-4-8-13(18)14(11)19/h4-9H,2-3,10H2,1H3
InChIKeyOENWBIXTNLKQQI-UHFFFAOYSA-N
XLogP5.28
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.23
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 5-(2-butoxy-3-pyridinyl)-3-(2,3-dichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-butoxy-3-pyridinyl)-3-(2,3-dichlorophenyl)-1,2,4-oxadiazole (CID 25264246) is 5-(2-butoxy-3-pyridinyl)-3-(2,3-dichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-butoxy-3-pyridinyl)-3-(2,3-dichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-butoxy-3-pyridinyl)-3-(2,3-dichlorophenyl)-1,2,4-oxadiazole is CCCCOc1ncccc1-c1nc(-c2cccc(Cl)c2Cl)no1.
What is the InChIKey of 5-(2-butoxy-3-pyridinyl)-3-(2,3-dichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is OENWBIXTNLKQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-2-3-10-23-16-12(7-5-9-20-16)17-21-15(22-24-17)11-6-4-8-13(18)14(11)19/h4-9H,2-3,10H2,1H3.
What are the key properties of 5-(2-butoxy-3-pyridinyl)-3-(2,3-dichlorophenyl)-1,2,4-oxadiazole?
5-(2-butoxy-3-pyridinyl)-3-(2,3-dichlorophenyl)-1,2,4-oxadiazole has a molecular weight of 364.23 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butoxy-3-pyridinyl)-3-(2,3-dichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 25264246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).