2-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-5-methyl-1,3-oxazole;oxalic acid

C13H16N2O5 — CID 67797078

IUPAC2-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-5-methyl-1,3-oxazole;oxalic acid
SMILESCc1cnc(C=C2CN3CCC2C3)o1.O=C(O)C(=O)O
InChIInChI=1S/C11H14N2O.C2H2O4/c1-8-5-12-11(14-8)4-10-7-13-3-2-9(10)6-13;3-1(4)2(5)6/h4-5,9H,2-3,6-7H2,1H3;(H,3,4)(H,5,6)
InChIKeyRWAZHMNFGYRFTB-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.86
Rot. Bonds1

About 2-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-5-methyl-1,3-oxazole;oxalic acid

2-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-5-methyl-1,3-oxazole;oxalic acid (PubChem CID 67797078) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-5-methyl-1,3-oxazole;oxalic acid.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-5-methyl-1,3-oxazole;oxalic acid
PubChem CID67797078
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-5-methyl-1,3-oxazole;oxalic acid
SMILESCc1cnc(C=C2CN3CCC2C3)o1.O=C(O)C(=O)O
InChIInChI=1S/C11H14N2O.C2H2O4/c1-8-5-12-11(14-8)4-10-7-13-3-2-9(10)6-13;3-1(4)2(5)6/h4-5,9H,2-3,6-7H2,1H3;(H,3,4)(H,5,6)
InChIKeyRWAZHMNFGYRFTB-UHFFFAOYSA-N
XLogP0.86
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.86
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-3-ylidenemethyl)-5-methyl-1,3-oxazole;oxalic acid?
The IUPAC name of 2-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-5-methyl-1,3-oxazole;oxalic acid (CID 67797078) is 2-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-5-methyl-1,3-oxazole;oxalic acid.
What is the SMILES notation for 2-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-5-methyl-1,3-oxazole;oxalic acid?
The canonical SMILES for 2-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-5-methyl-1,3-oxazole;oxalic acid is Cc1cnc(C=C2CN3CCC2C3)o1.O=C(O)C(=O)O.
What is the InChIKey of 2-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-5-methyl-1,3-oxazole;oxalic acid?
The InChIKey is RWAZHMNFGYRFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C2H2O4/c1-8-5-12-11(14-8)4-10-7-13-3-2-9(10)6-13;3-1(4)2(5)6/h4-5,9H,2-3,6-7H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-5-methyl-1,3-oxazole;oxalic acid?
2-(1-azabicyclo[2.2.1]heptan-3-ylidenemethyl)-5-methyl-1,3-oxazole;oxalic acid has a molecular weight of 280.28 g/mol, XLogP of 0.86, 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-3-ylidenemethyl)-5-methyl-1,3-oxazole;oxalic acid is sourced from PubChem (CID 67797078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).