5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole

C11H14N2O — CID 71376627

IUPAC5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole
SMILESC(=CC1CN2CCC1C2)c1ccno1
InChIInChI=1S/C11H14N2O/c1(2-11-3-5-12-14-11)9-7-13-6-4-10(9)8-13/h1-3,5,9-10H,4,6-8H2
InChIKeyUKZFTLYDJWYNMZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.64
Rot. Bonds2

About 5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole

5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole (PubChem CID 71376627) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole
PubChem CID71376627
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole
SMILESC(=CC1CN2CCC1C2)c1ccno1
InChIInChI=1S/C11H14N2O/c1(2-11-3-5-12-14-11)9-7-13-6-4-10(9)8-13/h1-3,5,9-10H,4,6-8H2
InChIKeyUKZFTLYDJWYNMZ-UHFFFAOYSA-N
XLogP1.64
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole?
The IUPAC name of 5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole (CID 71376627) is 5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole.
What is the SMILES notation for 5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole?
The canonical SMILES for 5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole is C(=CC1CN2CCC1C2)c1ccno1.
What is the InChIKey of 5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole?
The InChIKey is UKZFTLYDJWYNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1(2-11-3-5-12-14-11)9-7-13-6-4-10(9)8-13/h1-3,5,9-10H,4,6-8H2.
What are the key properties of 5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole?
5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole has a molecular weight of 190.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-azabicyclo[2.2.1]heptan-3-yl)ethenyl]-1,2-oxazole is sourced from PubChem (CID 71376627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).