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

C13H15ClN4O — CID 69372105

IUPAC6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1nc2nc(N3CCN4CC[C@@H]3C4)oc2cc1Cl
InChIInChI=1S/C13H15ClN4O/c1-8-10(14)6-11-12(15-8)16-13(19-11)18-5-4-17-3-2-9(18)7-17/h6,9H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyJOLZEFBORYSSBL-SECBINFHSA-N
MW278.74 g/mol
LogP2.08
Rot. Bonds1

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

6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 69372105) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID69372105
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1nc2nc(N3CCN4CC[C@@H]3C4)oc2cc1Cl
InChIInChI=1S/C13H15ClN4O/c1-8-10(14)6-11-12(15-8)16-13(19-11)18-5-4-17-3-2-9(18)7-17/h6,9H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyJOLZEFBORYSSBL-SECBINFHSA-N
XLogP2.08
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine (CID 69372105) is 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-5-methyl-[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]-5-methyl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine is Cc1nc2nc(N3CCN4CC[C@@H]3C4)oc2cc1Cl.
What is the InChIKey of 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is JOLZEFBORYSSBL-SECBINFHSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8-10(14)6-11-12(15-8)16-13(19-11)18-5-4-17-3-2-9(18)7-17/h6,9H,2-5,7H2,1H3/t9-/m1/s1.
What are the key properties of 6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine?
6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 278.74 g/mol, XLogP of 2.08, 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]-5-methyl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 69372105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).