9-[(5-ethyl-1,3-oxazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one

C14H20N2O2 — CID 114180880

IUPAC9-[(5-ethyl-1,3-oxazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCc1cnc(CN2C3CCCC2CC(=O)C3)o1
InChIInChI=1S/C14H20N2O2/c1-2-13-8-15-14(18-13)9-16-10-4-3-5-11(16)7-12(17)6-10/h8,10-11H,2-7,9H2,1H3
InChIKeyWCMYRYUYIRCXEE-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.32
Rot. Bonds3

About 9-[(5-ethyl-1,3-oxazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one

9-[(5-ethyl-1,3-oxazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 114180880) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 9-[(5-ethyl-1,3-oxazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-[(5-ethyl-1,3-oxazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID114180880
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name9-[(5-ethyl-1,3-oxazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCc1cnc(CN2C3CCCC2CC(=O)C3)o1
InChIInChI=1S/C14H20N2O2/c1-2-13-8-15-14(18-13)9-16-10-4-3-5-11(16)7-12(17)6-10/h8,10-11H,2-7,9H2,1H3
InChIKeyWCMYRYUYIRCXEE-UHFFFAOYSA-N
XLogP2.32
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(5-ethyl-1,3-oxazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-[(5-ethyl-1,3-oxazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one (CID 114180880) is 9-[(5-ethyl-1,3-oxazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-[(5-ethyl-1,3-oxazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-[(5-ethyl-1,3-oxazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one is CCc1cnc(CN2C3CCCC2CC(=O)C3)o1.
What is the InChIKey of 9-[(5-ethyl-1,3-oxazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is WCMYRYUYIRCXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-13-8-15-14(18-13)9-16-10-4-3-5-11(16)7-12(17)6-10/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 9-[(5-ethyl-1,3-oxazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
9-[(5-ethyl-1,3-oxazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 248.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-ethyl-1,3-oxazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 114180880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).