2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine

C11H14N4O — CID 83849284

IUPAC2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc2nc(N3CCCNCC3)oc2c1
InChIInChI=1S/C11H14N4O/c1-3-9-10(13-5-1)14-11(16-9)15-7-2-4-12-6-8-15/h1,3,5,12H,2,4,6-8H2
InChIKeyJIPNDAFHDHVGJZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.02
Rot. Bonds1

About 2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine

2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 83849284) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID83849284
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc2nc(N3CCCNCC3)oc2c1
InChIInChI=1S/C11H14N4O/c1-3-9-10(13-5-1)14-11(16-9)15-7-2-4-12-6-8-15/h1,3,5,12H,2,4,6-8H2
InChIKeyJIPNDAFHDHVGJZ-UHFFFAOYSA-N
XLogP1.02
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine
CID 71637411
2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide
CID 11452552
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidin-3-amine
CID 43831644
2-(4-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 46270777
1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone
CID 134792559
(4-methylphenyl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 46270792
(2-bromophenyl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 50755015
6-(1,4-diazepan-1-yl)quinoline
CID 62635992
1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one
CID 46270779
2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 50754741
N-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride
CID 56924271
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone
CID 154564115

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine (CID 83849284) is 2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine is c1cnc2nc(N3CCCNCC3)oc2c1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is JIPNDAFHDHVGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-9-10(13-5-1)14-11(16-9)15-7-2-4-12-6-8-15/h1,3,5,12H,2,4,6-8H2.
What are the key properties of 2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 218.26 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 83849284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).