1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone

C19H22N2O4 — CID 75367635

IUPAC1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone
SMILESCc1cccc(O[C@H]2COCCN(C(=O)COc3ccccc3)C2)n1
InChIInChI=1S/C19H22N2O4/c1-15-6-5-9-18(20-15)25-17-12-21(10-11-23-13-17)19(22)14-24-16-7-3-2-4-8-16/h2-9,17H,10-14H2,1H3/t17-/m1/s1
InChIKeyKJYGLASBGORZOI-QGZVFWFLSA-N
MW342.39 g/mol
LogP2.08
Rot. Bonds5

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

1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone (PubChem CID 75367635) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone
PubChem CID75367635
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone
SMILESCc1cccc(O[C@H]2COCCN(C(=O)COc3ccccc3)C2)n1
InChIInChI=1S/C19H22N2O4/c1-15-6-5-9-18(20-15)25-17-12-21(10-11-23-13-17)19(22)14-24-16-7-3-2-4-8-16/h2-9,17H,10-14H2,1H3/t17-/m1/s1
InChIKeyKJYGLASBGORZOI-QGZVFWFLSA-N
XLogP2.08
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

cyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone
CID 163058862
2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249548
2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249550
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone
CID 122161113
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249452
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122249453
1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501
(5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone
CID 162795641
2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole
CID 75411650
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249402
1-[(6S)-6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]-3-phenoxypropan-1-one
CID 124974870
(6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
CID 75367651

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone (CID 75367635) is 1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone is Cc1cccc(O[C@H]2COCCN(C(=O)COc3ccccc3)C2)n1.
What is the InChIKey of 1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone?
The InChIKey is KJYGLASBGORZOI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-15-6-5-9-18(20-15)25-17-12-21(10-11-23-13-17)19(22)14-24-16-7-3-2-4-8-16/h2-9,17H,10-14H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone?
1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone has a molecular weight of 342.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone is sourced from PubChem (CID 75367635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).