triethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium

C14H26N3O2+ — CID 167638943

IUPACtriethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium
SMILESCC[N+](CC)(CC)CCC(=O)CCCc1ncno1
InChIInChI=1S/C14H26N3O2/c1-4-17(5-2,6-3)11-10-13(18)8-7-9-14-15-12-16-19-14/h12H,4-11H2,1-3H3/q+1
InChIKeyOWSZTXAUAZTZHL-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.23
Rot. Bonds10

About triethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium

triethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium (PubChem CID 167638943) has the molecular formula C14H26N3O2+ and a molecular weight of 268.38 g/mol. Its IUPAC name is triethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium.

Molecular Properties

Compound Nametriethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium
PubChem CID167638943
Molecular FormulaC14H26N3O2+
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Nametriethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium
SMILESCC[N+](CC)(CC)CCC(=O)CCCc1ncno1
InChIInChI=1S/C14H26N3O2/c1-4-17(5-2,6-3)11-10-13(18)8-7-9-14-15-12-16-19-14/h12H,4-11H2,1-3H3/q+1
InChIKeyOWSZTXAUAZTZHL-UHFFFAOYSA-N
XLogP2.23
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium?
The IUPAC name of triethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium (CID 167638943) is triethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium.
What is the SMILES notation for triethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium?
The canonical SMILES for triethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium is CC[N+](CC)(CC)CCC(=O)CCCc1ncno1.
What is the InChIKey of triethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium?
The InChIKey is OWSZTXAUAZTZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N3O2/c1-4-17(5-2,6-3)11-10-13(18)8-7-9-14-15-12-16-19-14/h12H,4-11H2,1-3H3/q+1.
What are the key properties of triethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium?
triethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium has a molecular weight of 268.38 g/mol, XLogP of 2.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium is sourced from PubChem (CID 167638943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).