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

C11H16N2O — CID 25140218

IUPAC5-[2-(2-azabicyclo[2.1.1]hexan-1-yl)ethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCC23CC(CN2)C3)on1
InChIInChI=1S/C11H16N2O/c1-8-4-10(14-13-8)2-3-11-5-9(6-11)7-12-11/h4,9,12H,2-3,5-7H2,1H3
InChIKeyKUYCQJKHHZWVRP-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.67
Rot. Bonds3

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

5-[2-(2-azabicyclo[2.1.1]hexan-1-yl)ethyl]-3-methyl-1,2-oxazole (PubChem CID 25140218) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-[2-(2-azabicyclo[2.1.1]hexan-1-yl)ethyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(2-azabicyclo[2.1.1]hexan-1-yl)ethyl]-3-methyl-1,2-oxazole
PubChem CID25140218
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-[2-(2-azabicyclo[2.1.1]hexan-1-yl)ethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCC23CC(CN2)C3)on1
InChIInChI=1S/C11H16N2O/c1-8-4-10(14-13-8)2-3-11-5-9(6-11)7-12-11/h4,9,12H,2-3,5-7H2,1H3
InChIKeyKUYCQJKHHZWVRP-UHFFFAOYSA-N
XLogP1.67
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-azabicyclo[2.1.1]hexan-1-yl)ethyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[2-(2-azabicyclo[2.1.1]hexan-1-yl)ethyl]-3-methyl-1,2-oxazole (CID 25140218) is 5-[2-(2-azabicyclo[2.1.1]hexan-1-yl)ethyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[2-(2-azabicyclo[2.1.1]hexan-1-yl)ethyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[2-(2-azabicyclo[2.1.1]hexan-1-yl)ethyl]-3-methyl-1,2-oxazole is Cc1cc(CCC23CC(CN2)C3)on1.
What is the InChIKey of 5-[2-(2-azabicyclo[2.1.1]hexan-1-yl)ethyl]-3-methyl-1,2-oxazole?
The InChIKey is KUYCQJKHHZWVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-4-10(14-13-8)2-3-11-5-9(6-11)7-12-11/h4,9,12H,2-3,5-7H2,1H3.
What are the key properties of 5-[2-(2-azabicyclo[2.1.1]hexan-1-yl)ethyl]-3-methyl-1,2-oxazole?
5-[2-(2-azabicyclo[2.1.1]hexan-1-yl)ethyl]-3-methyl-1,2-oxazole has a molecular weight of 192.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-azabicyclo[2.1.1]hexan-1-yl)ethyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 25140218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).