(7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane

C14H21NO2 — CID 156540563

IUPAC(7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane
SMILESCOC[C@H]1CCN(Cc2ccccc2)CCO1
InChIInChI=1S/C14H21NO2/c1-16-12-14-7-8-15(9-10-17-14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/t14-/m1/s1
InChIKeyUIGKFLGBAGQGBJ-CQSZACIVSA-N
MW235.33 g/mol
LogP1.92
Rot. Bonds4

About (7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane

(7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane (PubChem CID 156540563) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane.

Molecular Properties

Compound Name(7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane
PubChem CID156540563
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane
SMILESCOC[C@H]1CCN(Cc2ccccc2)CCO1
InChIInChI=1S/C14H21NO2/c1-16-12-14-7-8-15(9-10-17-14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/t14-/m1/s1
InChIKeyUIGKFLGBAGQGBJ-CQSZACIVSA-N
XLogP1.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane
CID 155814589
2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine
CID 129053759
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
[4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane
CID 91011302
1-benzyl-4-(1,3-dioxolan-2-yl)piperidine
CID 72714001
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
(2S,3S)-4-benzyl-3-(methoxymethyl)-2-methylmorpholine
CID 164532988
methyl 1-benzylpiperidine-4-carboximidate;dihydrochloride
CID 18670137
[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
CID 99979793
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962

Frequently Asked Questions

What is the IUPAC name of (7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane?
The IUPAC name of (7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane (CID 156540563) is (7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane.
What is the SMILES notation for (7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane?
The canonical SMILES for (7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane is COC[C@H]1CCN(Cc2ccccc2)CCO1.
What is the InChIKey of (7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane?
The InChIKey is UIGKFLGBAGQGBJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-12-14-7-8-15(9-10-17-14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/t14-/m1/s1.
What are the key properties of (7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane?
(7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane has a molecular weight of 235.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane is sourced from PubChem (CID 156540563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).