5-[(1-azabicyclo[2.2.1]heptan-3-ylideneamino)oxymethyl]-1,2-oxazole-3-carbonitrile

C11H12N4O2 — CID 74996624

IUPAC5-[(1-azabicyclo[2.2.1]heptan-3-ylideneamino)oxymethyl]-1,2-oxazole-3-carbonitrile
SMILESN#Cc1cc(CON=C2CN3CCC2C3)on1
InChIInChI=1S/C11H12N4O2/c12-4-9-3-10(17-13-9)7-16-14-11-6-15-2-1-8(11)5-15/h3,8H,1-2,5-7H2
InChIKeyFLETZUNPOBFSJC-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.75
Rot. Bonds3

About 5-[(1-azabicyclo[2.2.1]heptan-3-ylideneamino)oxymethyl]-1,2-oxazole-3-carbonitrile

5-[(1-azabicyclo[2.2.1]heptan-3-ylideneamino)oxymethyl]-1,2-oxazole-3-carbonitrile (PubChem CID 74996624) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-[(1-azabicyclo[2.2.1]heptan-3-ylideneamino)oxymethyl]-1,2-oxazole-3-carbonitrile.

Molecular Properties

Compound Name5-[(1-azabicyclo[2.2.1]heptan-3-ylideneamino)oxymethyl]-1,2-oxazole-3-carbonitrile
PubChem CID74996624
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-[(1-azabicyclo[2.2.1]heptan-3-ylideneamino)oxymethyl]-1,2-oxazole-3-carbonitrile
SMILESN#Cc1cc(CON=C2CN3CCC2C3)on1
InChIInChI=1S/C11H12N4O2/c12-4-9-3-10(17-13-9)7-16-14-11-6-15-2-1-8(11)5-15/h3,8H,1-2,5-7H2
InChIKeyFLETZUNPOBFSJC-UHFFFAOYSA-N
XLogP0.75
TPSA74.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-azabicyclo[2.2.1]heptan-3-ylideneamino)oxymethyl]-1,2-oxazole-3-carbonitrile?
The IUPAC name of 5-[(1-azabicyclo[2.2.1]heptan-3-ylideneamino)oxymethyl]-1,2-oxazole-3-carbonitrile (CID 74996624) is 5-[(1-azabicyclo[2.2.1]heptan-3-ylideneamino)oxymethyl]-1,2-oxazole-3-carbonitrile.
What is the SMILES notation for 5-[(1-azabicyclo[2.2.1]heptan-3-ylideneamino)oxymethyl]-1,2-oxazole-3-carbonitrile?
The canonical SMILES for 5-[(1-azabicyclo[2.2.1]heptan-3-ylideneamino)oxymethyl]-1,2-oxazole-3-carbonitrile is N#Cc1cc(CON=C2CN3CCC2C3)on1.
What is the InChIKey of 5-[(1-azabicyclo[2.2.1]heptan-3-ylideneamino)oxymethyl]-1,2-oxazole-3-carbonitrile?
The InChIKey is FLETZUNPOBFSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-4-9-3-10(17-13-9)7-16-14-11-6-15-2-1-8(11)5-15/h3,8H,1-2,5-7H2.
What are the key properties of 5-[(1-azabicyclo[2.2.1]heptan-3-ylideneamino)oxymethyl]-1,2-oxazole-3-carbonitrile?
5-[(1-azabicyclo[2.2.1]heptan-3-ylideneamino)oxymethyl]-1,2-oxazole-3-carbonitrile has a molecular weight of 232.24 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-azabicyclo[2.2.1]heptan-3-ylideneamino)oxymethyl]-1,2-oxazole-3-carbonitrile is sourced from PubChem (CID 74996624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).