cyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone

C15H20N2O3 — CID 163058862

IUPACcyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone
SMILESCc1cccc(OC2COCCN(C(=O)C3CC3)C2)n1
InChIInChI=1S/C15H20N2O3/c1-11-3-2-4-14(16-11)20-13-9-17(7-8-19-10-13)15(18)12-5-6-12/h2-4,12-13H,5-10H2,1H3
InChIKeyUYUDZKIOPRSYHW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.41
Rot. Bonds3

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

cyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone (PubChem CID 163058862) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is cyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone
PubChem CID163058862
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namecyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone
SMILESCc1cccc(OC2COCCN(C(=O)C3CC3)C2)n1
InChIInChI=1S/C15H20N2O3/c1-11-3-2-4-14(16-11)20-13-9-17(7-8-19-10-13)15(18)12-5-6-12/h2-4,12-13H,5-10H2,1H3
InChIKeyUYUDZKIOPRSYHW-UHFFFAOYSA-N
XLogP1.41
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-2-phenoxyethanone
CID 75367635
cyclobutyl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 72717362
oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone
CID 75411596
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249452
2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole
CID 75411650
2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 129418309
cyclopropyl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone
CID 75536872
[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 100628592
(6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
CID 75367651
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122249453
(4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129417594
(4R)-4-[4-[(6-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 97427086

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone?
The IUPAC name of cyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone (CID 163058862) is cyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for cyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for cyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone is Cc1cccc(OC2COCCN(C(=O)C3CC3)C2)n1.
What is the InChIKey of cyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone?
The InChIKey is UYUDZKIOPRSYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-3-2-4-14(16-11)20-13-9-17(7-8-19-10-13)15(18)12-5-6-12/h2-4,12-13H,5-10H2,1H3.
What are the key properties of cyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone?
cyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone has a molecular weight of 276.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 163058862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).