5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2-oxazole

C9H12N2O — CID 25140215

IUPAC5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(C23CC(CN2)C3)on1
InChIInChI=1S/C9H12N2O/c1-6-2-8(12-11-6)9-3-7(4-9)5-10-9/h2,7,10H,3-5H2,1H3
InChIKeyJUBXVNWVCYXFLO-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.19
Rot. Bonds1

About 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2-oxazole

5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2-oxazole (PubChem CID 25140215) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2-oxazole
PubChem CID25140215
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(C23CC(CN2)C3)on1
InChIInChI=1S/C9H12N2O/c1-6-2-8(12-11-6)9-3-7(4-9)5-10-9/h2,7,10H,3-5H2,1H3
InChIKeyJUBXVNWVCYXFLO-UHFFFAOYSA-N
XLogP1.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2-oxazole (CID 25140215) is 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2-oxazole is Cc1cc(C23CC(CN2)C3)on1.
What is the InChIKey of 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2-oxazole?
The InChIKey is JUBXVNWVCYXFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-2-8(12-11-6)9-3-7(4-9)5-10-9/h2,7,10H,3-5H2,1H3.
What are the key properties of 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2-oxazole?
5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2-oxazole has a molecular weight of 164.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 25140215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).