2-(1-azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid

C11H14N2O5 — CID 67759737

IUPAC2-(1-azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid
SMILESO=C(O)C(=O)O.c1coc(C23CCN(CC2)C3)n1
InChIInChI=1S/C9H12N2O.C2H2O4/c1-4-11-5-2-9(1,7-11)8-10-3-6-12-8;3-1(4)2(5)6/h3,6H,1-2,4-5,7H2;(H,3,4)(H,5,6)
InChIKeyACKRPUFEXQPVBR-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.18
Rot. Bonds1

About 2-(1-azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid

2-(1-azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid (PubChem CID 67759737) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid
PubChem CID67759737
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-(1-azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid
SMILESO=C(O)C(=O)O.c1coc(C23CCN(CC2)C3)n1
InChIInChI=1S/C9H12N2O.C2H2O4/c1-4-11-5-2-9(1,7-11)8-10-3-6-12-8;3-1(4)2(5)6/h3,6H,1-2,4-5,7H2;(H,3,4)(H,5,6)
InChIKeyACKRPUFEXQPVBR-UHFFFAOYSA-N
XLogP0.18
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid?
The IUPAC name of 2-(1-azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid (CID 67759737) is 2-(1-azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid.
What is the SMILES notation for 2-(1-azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid?
The canonical SMILES for 2-(1-azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid is O=C(O)C(=O)O.c1coc(C23CCN(CC2)C3)n1.
What is the InChIKey of 2-(1-azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid?
The InChIKey is ACKRPUFEXQPVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H2O4/c1-4-11-5-2-9(1,7-11)8-10-3-6-12-8;3-1(4)2(5)6/h3,6H,1-2,4-5,7H2;(H,3,4)(H,5,6).
What are the key properties of 2-(1-azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid?
2-(1-azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid has a molecular weight of 254.24 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid is sourced from PubChem (CID 67759737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).