[(2S)-1,4-oxazepan-2-yl]methanol

C6H13NO2 — CID 55299577

IUPAC[(2S)-1,4-oxazepan-2-yl]methanol
SMILESOC[C@@H]1CNCCCO1
InChIInChI=1S/C6H13NO2/c8-5-6-4-7-2-1-3-9-6/h6-8H,1-5H2/t6-/m0/s1
InChIKeyNOMOXHNWEMMVCR-LURJTMIESA-N
MW131.18 g/mol
LogP-0.64
Rot. Bonds1

About [(2S)-1,4-oxazepan-2-yl]methanol

[(2S)-1,4-oxazepan-2-yl]methanol (PubChem CID 55299577) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is [(2S)-1,4-oxazepan-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1,4-oxazepan-2-yl]methanol
PubChem CID55299577
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name[(2S)-1,4-oxazepan-2-yl]methanol
SMILESOC[C@@H]1CNCCCO1
InChIInChI=1S/C6H13NO2/c8-5-6-4-7-2-1-3-9-6/h6-8H,1-5H2/t6-/m0/s1
InChIKeyNOMOXHNWEMMVCR-LURJTMIESA-N
XLogP-0.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-morpholin-2-yl]methanol;hydrochloride
CID 42614735
2-amino-3-(1,4-oxazepan-2-yl)propanoic acid
CID 106491180
calcium;hydride;oxolan-2-ylmethanol
CID 173198677
(2R)-2-(propan-2-yloxymethyl)-1,4-oxazepane
CID 176863330
2-morpholin-2-ylethanol;hydrofluoride
CID 69116594
oxolan-2-ylmethanol;hydrochloride
CID 155166529
hydron;oxolan-2-ylmethanol
CID 174439667
2-(morpholin-2-ylmethyl)morpholine
CID 18506039
[(2S)-oxan-2-yl]methanol
CID 6950811
4-morpholin-2-ylbutan-1-ol
CID 66968859
[1-(oxolan-2-ylmethyl)piperazin-2-yl]methanol
CID 82241239
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761

Frequently Asked Questions

What is the IUPAC name of [(2S)-1,4-oxazepan-2-yl]methanol?
The IUPAC name of [(2S)-1,4-oxazepan-2-yl]methanol (CID 55299577) is [(2S)-1,4-oxazepan-2-yl]methanol.
What is the SMILES notation for [(2S)-1,4-oxazepan-2-yl]methanol?
The canonical SMILES for [(2S)-1,4-oxazepan-2-yl]methanol is OC[C@@H]1CNCCCO1.
What is the InChIKey of [(2S)-1,4-oxazepan-2-yl]methanol?
The InChIKey is NOMOXHNWEMMVCR-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2/c8-5-6-4-7-2-1-3-9-6/h6-8H,1-5H2/t6-/m0/s1.
What are the key properties of [(2S)-1,4-oxazepan-2-yl]methanol?
[(2S)-1,4-oxazepan-2-yl]methanol has a molecular weight of 131.18 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,4-oxazepan-2-yl]methanol is sourced from PubChem (CID 55299577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).