(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane

C11H16N2O2 — CID 77059087

IUPAC(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
SMILESCc1cccc(O[C@@H]2CNCCOC2)n1
InChIInChI=1S/C11H16N2O2/c1-9-3-2-4-11(13-9)15-10-7-12-5-6-14-8-10/h2-4,10,12H,5-8H2,1H3/t10-/m1/s1
InChIKeyXRGCOAZILNJFFD-SNVBAGLBSA-N
MW208.26 g/mol
LogP0.76
Rot. Bonds2

About (6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane

(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane (PubChem CID 77059087) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
PubChem CID77059087
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
SMILESCc1cccc(O[C@@H]2CNCCOC2)n1
InChIInChI=1S/C11H16N2O2/c1-9-3-2-4-11(13-9)15-10-7-12-5-6-14-8-10/h2-4,10,12H,5-8H2,1H3/t10-/m1/s1
InChIKeyXRGCOAZILNJFFD-SNVBAGLBSA-N
XLogP0.76
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane?
The IUPAC name of (6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane (CID 77059087) is (6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane.
What is the SMILES notation for (6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane?
The canonical SMILES for (6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane is Cc1cccc(O[C@@H]2CNCCOC2)n1.
What is the InChIKey of (6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane?
The InChIKey is XRGCOAZILNJFFD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9-3-2-4-11(13-9)15-10-7-12-5-6-14-8-10/h2-4,10,12H,5-8H2,1H3/t10-/m1/s1.
What are the key properties of (6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane?
(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane has a molecular weight of 208.26 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane is sourced from PubChem (CID 77059087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).