2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-ethyl-[1,3]oxazolo[4,5-b]pyridine

C15H20N4O — CID 11572597

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-ethyl-[1,3]oxazolo[4,5-b]pyridine
SMILESCCc1ccc2oc(N3CCN4CCC3CC4)nc2n1
InChIInChI=1S/C15H20N4O/c1-2-11-3-4-13-14(16-11)17-15(20-13)19-10-9-18-7-5-12(19)6-8-18/h3-4,12H,2,5-10H2,1H3
InChIKeyYABLRALLVGHPFP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.07
Rot. Bonds2

About 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-ethyl-[1,3]oxazolo[4,5-b]pyridine

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-ethyl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 11572597) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-ethyl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-ethyl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID11572597
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-ethyl-[1,3]oxazolo[4,5-b]pyridine
SMILESCCc1ccc2oc(N3CCN4CCC3CC4)nc2n1
InChIInChI=1S/C15H20N4O/c1-2-11-3-4-13-14(16-11)17-15(20-13)19-10-9-18-7-5-12(19)6-8-18/h3-4,12H,2,5-10H2,1H3
InChIKeyYABLRALLVGHPFP-UHFFFAOYSA-N
XLogP2.07
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-ethyl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-ethyl-[1,3]oxazolo[4,5-b]pyridine (CID 11572597) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-ethyl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-ethyl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-ethyl-[1,3]oxazolo[4,5-b]pyridine is CCc1ccc2oc(N3CCN4CCC3CC4)nc2n1.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-ethyl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is YABLRALLVGHPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-11-3-4-13-14(16-11)17-15(20-13)19-10-9-18-7-5-12(19)6-8-18/h3-4,12H,2,5-10H2,1H3.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-ethyl-[1,3]oxazolo[4,5-b]pyridine?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-ethyl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 272.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-ethyl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 11572597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).