2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-fluoro-5-methyl-[1,3]oxazolo[4,5-b]pyridine

C14H17FN4O — CID 11680667

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-fluoro-5-methyl-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1nc2nc(N3CCN4CCC3CC4)oc2cc1F
InChIInChI=1S/C14H17FN4O/c1-9-11(15)8-12-13(16-9)17-14(20-12)19-7-6-18-4-2-10(19)3-5-18/h8,10H,2-7H2,1H3
InChIKeyNMVUENQHTGODKP-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.95
Rot. Bonds1

About 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-fluoro-5-methyl-[1,3]oxazolo[4,5-b]pyridine

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-fluoro-5-methyl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 11680667) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-fluoro-5-methyl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-fluoro-5-methyl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID11680667
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-fluoro-5-methyl-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1nc2nc(N3CCN4CCC3CC4)oc2cc1F
InChIInChI=1S/C14H17FN4O/c1-9-11(15)8-12-13(16-9)17-14(20-12)19-7-6-18-4-2-10(19)3-5-18/h8,10H,2-7H2,1H3
InChIKeyNMVUENQHTGODKP-UHFFFAOYSA-N
XLogP1.95
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.95
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)-6-fluoro-5-methyl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-fluoro-5-methyl-[1,3]oxazolo[4,5-b]pyridine (CID 11680667) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-fluoro-5-methyl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-fluoro-5-methyl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-fluoro-5-methyl-[1,3]oxazolo[4,5-b]pyridine is Cc1nc2nc(N3CCN4CCC3CC4)oc2cc1F.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-fluoro-5-methyl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is NMVUENQHTGODKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-9-11(15)8-12-13(16-9)17-14(20-12)19-7-6-18-4-2-10(19)3-5-18/h8,10H,2-7H2,1H3.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-fluoro-5-methyl-[1,3]oxazolo[4,5-b]pyridine?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-fluoro-5-methyl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 276.31 g/mol, XLogP of 1.95, 1 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)-6-fluoro-5-methyl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 11680667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).