2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine

C14H18N4O — CID 11715849

IUPAC2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1cc2oc(N3CCN4CCC3C4)nc2nc1C
InChIInChI=1S/C14H18N4O/c1-9-7-12-13(15-10(9)2)16-14(19-12)18-6-5-17-4-3-11(18)8-17/h7,11H,3-6,8H2,1-2H3
InChIKeyPKWWLLUMBBVFKN-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.73
Rot. Bonds1

About 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine

2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 11715849) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID11715849
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1cc2oc(N3CCN4CCC3C4)nc2nc1C
InChIInChI=1S/C14H18N4O/c1-9-7-12-13(15-10(9)2)16-14(19-12)18-6-5-17-4-3-11(18)8-17/h7,11H,3-6,8H2,1-2H3
InChIKeyPKWWLLUMBBVFKN-UHFFFAOYSA-N
XLogP1.73
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.73
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[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine (CID 11715849) is 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine is Cc1cc2oc(N3CCN4CCC3C4)nc2nc1C.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is PKWWLLUMBBVFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-7-12-13(15-10(9)2)16-14(19-12)18-6-5-17-4-3-11(18)8-17/h7,11H,3-6,8H2,1-2H3.
What are the key properties of 2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine?
2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 258.32 g/mol, XLogP of 1.73, 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[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 11715849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).