(2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane

C9H19NO2 — CID 176863330

IUPAC(2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane
SMILESCC(C)OC[C@H]1CNCCCO1
InChIInChI=1S/C9H19NO2/c1-8(2)12-7-9-6-10-4-3-5-11-9/h8-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyMSZOECZQXQGLMF-SECBINFHSA-N
MW173.26 g/mol
LogP0.79
Rot. Bonds3

About (2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane

(2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane (PubChem CID 176863330) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane.

Molecular Properties

Compound Name(2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane
PubChem CID176863330
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane
SMILESCC(C)OC[C@H]1CNCCCO1
InChIInChI=1S/C9H19NO2/c1-8(2)12-7-9-6-10-4-3-5-11-9/h8-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyMSZOECZQXQGLMF-SECBINFHSA-N
XLogP0.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5,5-dimethyl-2-(propan-2-yloxymethyl)-1,4-oxazepane
CID 176863622
1-(morpholin-2-ylmethoxy)ethanol;oxalic acid
CID 159817068
(2S)-6,6-difluoro-2-(propan-2-yloxymethyl)-1,4-oxazepane
CID 176863619
[(2S)-1,4-oxazepan-2-yl]methanol
CID 55299577
(2S)-2-(methoxymethyl)morpholine;(2R)-2-(methoxymethyl)morpholine
CID 163652511
(2S)-2-(methoxymethyl)morpholine
CID 10103206
2-(propan-2-yloxymethyl)oxirane
CID 159998967
(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane
CID 167458864
2-(methoxymethyl)morpholine;hydrochloride
CID 19777233
2-(oxan-2-ylmethoxy)-N-piperidin-3-ylpropanamide
CID 119429154
2-(morpholin-2-ylmethoxy)-N-pentan-2-ylpropanamide
CID 114468630
5,5-diethyl-2-(propan-2-yloxymethyl)morpholine
CID 63988215

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane?
The IUPAC name of (2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane (CID 176863330) is (2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane.
What is the SMILES notation for (2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane?
The canonical SMILES for (2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane is CC(C)OC[C@H]1CNCCCO1.
What is the InChIKey of (2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane?
The InChIKey is MSZOECZQXQGLMF-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)12-7-9-6-10-4-3-5-11-9/h8-10H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane?
(2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane has a molecular weight of 173.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane is sourced from PubChem (CID 176863330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).