triethyl-[3-[2-(1,2,4-oxadiazol-5-yl)ethoxy]-3-oxopropyl]azanium

C13H24N3O3+ — CID 164942863

IUPACtriethyl-[3-[2-(1,2,4-oxadiazol-5-yl)ethoxy]-3-oxopropyl]azanium
SMILESCC[N+](CC)(CC)CCC(=O)OCCc1ncno1
InChIInChI=1S/C13H24N3O3/c1-4-16(5-2,6-3)9-7-13(17)18-10-8-12-14-11-15-19-12/h11H,4-10H2,1-3H3/q+1
InChIKeyGLNOPZVYTPKNPH-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.42
Rot. Bonds9

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

triethyl-[3-[2-(1,2,4-oxadiazol-5-yl)ethoxy]-3-oxopropyl]azanium (PubChem CID 164942863) has the molecular formula C13H24N3O3+ and a molecular weight of 270.35 g/mol. Its IUPAC name is triethyl-[3-[2-(1,2,4-oxadiazol-5-yl)ethoxy]-3-oxopropyl]azanium.

Molecular Properties

Compound Nametriethyl-[3-[2-(1,2,4-oxadiazol-5-yl)ethoxy]-3-oxopropyl]azanium
PubChem CID164942863
Molecular FormulaC13H24N3O3+
Molecular Weight270.35 g/mol
Exact Mass270.18
IUPAC Nametriethyl-[3-[2-(1,2,4-oxadiazol-5-yl)ethoxy]-3-oxopropyl]azanium
SMILESCC[N+](CC)(CC)CCC(=O)OCCc1ncno1
InChIInChI=1S/C13H24N3O3/c1-4-16(5-2,6-3)9-7-13(17)18-10-8-12-14-11-15-19-12/h11H,4-10H2,1-3H3/q+1
InChIKeyGLNOPZVYTPKNPH-UHFFFAOYSA-N
XLogP1.42
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[3-[2-(1,2,4-oxadiazol-5-yl)ethoxy]-3-oxopropyl]azanium?
The IUPAC name of triethyl-[3-[2-(1,2,4-oxadiazol-5-yl)ethoxy]-3-oxopropyl]azanium (CID 164942863) is triethyl-[3-[2-(1,2,4-oxadiazol-5-yl)ethoxy]-3-oxopropyl]azanium.
What is the SMILES notation for triethyl-[3-[2-(1,2,4-oxadiazol-5-yl)ethoxy]-3-oxopropyl]azanium?
The canonical SMILES for triethyl-[3-[2-(1,2,4-oxadiazol-5-yl)ethoxy]-3-oxopropyl]azanium is CC[N+](CC)(CC)CCC(=O)OCCc1ncno1.
What is the InChIKey of triethyl-[3-[2-(1,2,4-oxadiazol-5-yl)ethoxy]-3-oxopropyl]azanium?
The InChIKey is GLNOPZVYTPKNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N3O3/c1-4-16(5-2,6-3)9-7-13(17)18-10-8-12-14-11-15-19-12/h11H,4-10H2,1-3H3/q+1.
What are the key properties of triethyl-[3-[2-(1,2,4-oxadiazol-5-yl)ethoxy]-3-oxopropyl]azanium?
triethyl-[3-[2-(1,2,4-oxadiazol-5-yl)ethoxy]-3-oxopropyl]azanium has a molecular weight of 270.35 g/mol, XLogP of 1.42, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-[2-(1,2,4-oxadiazol-5-yl)ethoxy]-3-oxopropyl]azanium is sourced from PubChem (CID 164942863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).