3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole

C10H12N2O — CID 70094793

IUPAC3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole
SMILESC1=CC2(c3ccon3)CCC(C1)N2
InChIInChI=1S/C10H12N2O/c1-2-8-3-6-10(5-1,11-8)9-4-7-13-12-9/h1,4-5,7-8,11H,2-3,6H2
InChIKeyUYKNBYUAIBLLHP-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.58
Rot. Bonds1

About 3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole

3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole (PubChem CID 70094793) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole
PubChem CID70094793
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole
SMILESC1=CC2(c3ccon3)CCC(C1)N2
InChIInChI=1S/C10H12N2O/c1-2-8-3-6-10(5-1,11-8)9-4-7-13-12-9/h1,4-5,7-8,11H,2-3,6H2
InChIKeyUYKNBYUAIBLLHP-UHFFFAOYSA-N
XLogP1.58
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole?
The IUPAC name of 3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole (CID 70094793) is 3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole.
What is the SMILES notation for 3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole?
The canonical SMILES for 3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole is C1=CC2(c3ccon3)CCC(C1)N2.
What is the InChIKey of 3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole?
The InChIKey is UYKNBYUAIBLLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-8-3-6-10(5-1,11-8)9-4-7-13-12-9/h1,4-5,7-8,11H,2-3,6H2.
What are the key properties of 3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole?
3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole has a molecular weight of 176.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole is sourced from PubChem (CID 70094793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).