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

C15H22N2O2 — CID 75536860

IUPAC(6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
SMILESCc1cccc(O[C@H]2COCCN(C3CCC3)C2)n1
InChIInChI=1S/C15H22N2O2/c1-12-4-2-7-15(16-12)19-14-10-17(8-9-18-11-14)13-5-3-6-13/h2,4,7,13-14H,3,5-6,8-11H2,1H3/t14-/m1/s1
InChIKeyUQXOJIVAZFUTTE-CQSZACIVSA-N
MW262.35 g/mol
LogP2.02
Rot. Bonds3

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

(6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane (PubChem CID 75536860) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
PubChem CID75536860
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
SMILESCc1cccc(O[C@H]2COCCN(C3CCC3)C2)n1
InChIInChI=1S/C15H22N2O2/c1-12-4-2-7-15(16-12)19-14-10-17(8-9-18-11-14)13-5-3-6-13/h2,4,7,13-14H,3,5-6,8-11H2,1H3/t14-/m1/s1
InChIKeyUQXOJIVAZFUTTE-CQSZACIVSA-N
XLogP2.02
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane?
The IUPAC name of (6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane (CID 75536860) is (6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane.
What is the SMILES notation for (6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane?
The canonical SMILES for (6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane is Cc1cccc(O[C@H]2COCCN(C3CCC3)C2)n1.
What is the InChIKey of (6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane?
The InChIKey is UQXOJIVAZFUTTE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-4-2-7-15(16-12)19-14-10-17(8-9-18-11-14)13-5-3-6-13/h2,4,7,13-14H,3,5-6,8-11H2,1H3/t14-/m1/s1.
What are the key properties of (6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane?
(6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane has a molecular weight of 262.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane is sourced from PubChem (CID 75536860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).