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

C12H13ClN4O — CID 69369593

IUPAC6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine
SMILESClc1cnc2nc(N3CCN4CC[C@@H]3C4)oc2c1
InChIInChI=1S/C12H13ClN4O/c13-8-5-10-11(14-6-8)15-12(18-10)17-4-3-16-2-1-9(17)7-16/h5-6,9H,1-4,7H2/t9-/m1/s1
InChIKeyCYEQTMFRCMRDPA-SECBINFHSA-N
MW264.72 g/mol
LogP1.77
Rot. Bonds1

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

6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 69369593) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID69369593
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine
SMILESClc1cnc2nc(N3CCN4CC[C@@H]3C4)oc2c1
InChIInChI=1S/C12H13ClN4O/c13-8-5-10-11(14-6-8)15-12(18-10)17-4-3-16-2-1-9(17)7-16/h5-6,9H,1-4,7H2/t9-/m1/s1
InChIKeyCYEQTMFRCMRDPA-SECBINFHSA-N
XLogP1.77
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine with MolForge

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Related Compounds

2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine
CID 11715849
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 11638154
2-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile
CID 11688784
4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane
CID 131029065
4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
CID 69316453
2-(1,4-diazabicyclo[3.2.1]octan-4-yl)pyrimidin-5-amine
CID 67159569
5-chloro-2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-nitro-1,3-benzoxazole
CID 22495803
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbonitrile;2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methyl-6-phenoxy-[1,3]oxazolo[4,5-b]pyridine
CID 159826709
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 11645769
8-chloro-4-[(4R)-1,3-diazabicyclo[2.2.1]heptan-3-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 67456350
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine;hydrochloride
CID 46179896
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)benzo[e][1,3]benzoxazole
CID 22495793

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine (CID 69369593) is 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine is Clc1cnc2nc(N3CCN4CC[C@@H]3C4)oc2c1.
What is the InChIKey of 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is CYEQTMFRCMRDPA-SECBINFHSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-8-5-10-11(14-6-8)15-12(18-10)17-4-3-16-2-1-9(17)7-16/h5-6,9H,1-4,7H2/t9-/m1/s1.
What are the key properties of 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine?
6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 264.72 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 69369593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).