oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone

C17H23NO4 — CID 75411596

IUPACoxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone
SMILESO=C(C1CCOCC1)N1CCOC[C@H](Oc2ccccc2)C1
InChIInChI=1S/C17H23NO4/c19-17(14-6-9-20-10-7-14)18-8-11-21-13-16(12-18)22-15-4-2-1-3-5-15/h1-5,14,16H,6-13H2/t16-/m1/s1
InChIKeyXQMJVFFILFYGQM-MRXNPFEDSA-N
MW305.37 g/mol
LogP1.72
Rot. Bonds3

About oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone

oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone (PubChem CID 75411596) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone
PubChem CID75411596
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nameoxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone
SMILESO=C(C1CCOCC1)N1CCOC[C@H](Oc2ccccc2)C1
InChIInChI=1S/C17H23NO4/c19-17(14-6-9-20-10-7-14)18-8-11-21-13-16(12-18)22-15-4-2-1-3-5-15/h1-5,14,16H,6-13H2/t16-/m1/s1
InChIKeyXQMJVFFILFYGQM-MRXNPFEDSA-N
XLogP1.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone
CID 75536872
cyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone
CID 163058862
(5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone
CID 162795641
1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 126441920
1-[4-(3-phenoxypyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 118782186
[3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 96578519
1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone
CID 110198184
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone
CID 129354509
4-phenoxyoxane
CID 58483739
[3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 96581278
[(2R,4S)-1-(benzenesulfonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110196831

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone?
The IUPAC name of oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone (CID 75411596) is oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone is O=C(C1CCOCC1)N1CCOC[C@H](Oc2ccccc2)C1.
What is the InChIKey of oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone?
The InChIKey is XQMJVFFILFYGQM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23NO4/c19-17(14-6-9-20-10-7-14)18-8-11-21-13-16(12-18)22-15-4-2-1-3-5-15/h1-5,14,16H,6-13H2/t16-/m1/s1.
What are the key properties of oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone?
oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone has a molecular weight of 305.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 75411596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).