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

C16H24N2O3 — CID 75536864

IUPAC(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane
SMILESCc1cccc(O[C@H]2COCCN(C3CCOCC3)C2)n1
InChIInChI=1S/C16H24N2O3/c1-13-3-2-4-16(17-13)21-15-11-18(7-10-20-12-15)14-5-8-19-9-6-14/h2-4,14-15H,5-12H2,1H3/t15-/m1/s1
InChIKeyLFRTYDINERSPQH-OAHLLOKOSA-N
MW292.38 g/mol
LogP1.65
Rot. Bonds3

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

(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane (PubChem CID 75536864) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane
PubChem CID75536864
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane
SMILESCc1cccc(O[C@H]2COCCN(C3CCOCC3)C2)n1
InChIInChI=1S/C16H24N2O3/c1-13-3-2-4-16(17-13)21-15-11-18(7-10-20-12-15)14-5-8-19-9-6-14/h2-4,14-15H,5-12H2,1H3/t15-/m1/s1
InChIKeyLFRTYDINERSPQH-OAHLLOKOSA-N
XLogP1.65
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane?
The IUPAC name of (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane (CID 75536864) is (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane.
What is the SMILES notation for (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane?
The canonical SMILES for (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane is Cc1cccc(O[C@H]2COCCN(C3CCOCC3)C2)n1.
What is the InChIKey of (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane?
The InChIKey is LFRTYDINERSPQH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13-3-2-4-16(17-13)21-15-11-18(7-10-20-12-15)14-5-8-19-9-6-14/h2-4,14-15H,5-12H2,1H3/t15-/m1/s1.
What are the key properties of (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane?
(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane has a molecular weight of 292.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane is sourced from PubChem (CID 75536864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).