2-hydroxyethyl(trimethyl)azanium;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate

C11H21N3O3 — CID 15940706

IUPAC2-hydroxyethyl(trimethyl)azanium;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate
SMILESC[N+](C)(C)CCO.[O-]c1noc2c1CCNC2
InChIInChI=1S/C6H8N2O2.C5H14NO/c9-6-4-1-2-7-3-5(4)10-8-6;1-6(2,3)4-5-7/h7H,1-3H2,(H,8,9);7H,4-5H2,1-3H3/q;+1/p-1
InChIKeyJQXPAURXSWSTHX-UHFFFAOYSA-M
MW243.31 g/mol
LogP-0.92
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate

2-hydroxyethyl(trimethyl)azanium;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate (PubChem CID 15940706) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate
PubChem CID15940706
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-hydroxyethyl(trimethyl)azanium;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate
SMILESC[N+](C)(C)CCO.[O-]c1noc2c1CCNC2
InChIInChI=1S/C6H8N2O2.C5H14NO/c9-6-4-1-2-7-3-5(4)10-8-6;1-6(2,3)4-5-7/h7H,1-3H2,(H,8,9);7H,4-5H2,1-3H3/q;+1/p-1
InChIKeyJQXPAURXSWSTHX-UHFFFAOYSA-M
XLogP-0.92
TPSA81.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
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 2-hydroxyethyl(trimethyl)azanium;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate (CID 15940706) is 2-hydroxyethyl(trimethyl)azanium;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate is C[N+](C)(C)CCO.[O-]c1noc2c1CCNC2.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate?
The InChIKey is JQXPAURXSWSTHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2O2.C5H14NO/c9-6-4-1-2-7-3-5(4)10-8-6;1-6(2,3)4-5-7/h7H,1-3H2,(H,8,9);7H,4-5H2,1-3H3/q;+1/p-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate?
2-hydroxyethyl(trimethyl)azanium;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate has a molecular weight of 243.31 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate is sourced from PubChem (CID 15940706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).