1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol

C12H22N2O2 — CID 102660835

IUPAC1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol
SMILESCCCCCCCCc1nc(C(C)O)no1
InChIInChI=1S/C12H22N2O2/c1-3-4-5-6-7-8-9-11-13-12(10(2)15)14-16-11/h10,15H,3-9H2,1-2H3
InChIKeyPYDBCJVDWMAKNA-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.03
Rot. Bonds8

About 1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol

1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol (PubChem CID 102660835) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol
PubChem CID102660835
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol
SMILESCCCCCCCCc1nc(C(C)O)no1
InChIInChI=1S/C12H22N2O2/c1-3-4-5-6-7-8-9-11-13-12(10(2)15)14-16-11/h10,15H,3-9H2,1-2H3
InChIKeyPYDBCJVDWMAKNA-UHFFFAOYSA-N
XLogP3.03
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol?
The IUPAC name of 1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol (CID 102660835) is 1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol?
The canonical SMILES for 1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol is CCCCCCCCc1nc(C(C)O)no1.
What is the InChIKey of 1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol?
The InChIKey is PYDBCJVDWMAKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-4-5-6-7-8-9-11-13-12(10(2)15)14-16-11/h10,15H,3-9H2,1-2H3.
What are the key properties of 1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol?
1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol has a molecular weight of 226.32 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol is sourced from PubChem (CID 102660835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).