3-benzyl-1,4-oxazepan-2-ol

C12H17NO2 — CID 173091475

IUPAC3-benzyl-1,4-oxazepan-2-ol
SMILESOC1OCCCNC1Cc1ccccc1
InChIInChI=1S/C12H17NO2/c14-12-11(13-7-4-8-15-12)9-10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2
InChIKeyWENWUYOWBHYGCG-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.93
Rot. Bonds2

About 3-benzyl-1,4-oxazepan-2-ol

3-benzyl-1,4-oxazepan-2-ol (PubChem CID 173091475) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-benzyl-1,4-oxazepan-2-ol.

Molecular Properties

Compound Name3-benzyl-1,4-oxazepan-2-ol
PubChem CID173091475
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-benzyl-1,4-oxazepan-2-ol
SMILESOC1OCCCNC1Cc1ccccc1
InChIInChI=1S/C12H17NO2/c14-12-11(13-7-4-8-15-12)9-10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2
InChIKeyWENWUYOWBHYGCG-UHFFFAOYSA-N
XLogP0.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylpiperidin-3-ol;hydrochloride
CID 115036439
2-benzyl-1,3-oxazepane
CID 67179669
(2S,3S)-3-benzyloxolan-2-ol
CID 86339403
4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one
CID 22088981
(1S,7R,8S,12S)-8,12-dibenzyl-2,4,6-trioxa-9,11-diazabicyclo[5.5.0]dodecan-10-one
CID 22857227
(2S,3S)-2-(2-phenylethyl)piperidin-3-ol
CID 124505625
(3S)-3-phenylmethoxyoxan-2-ol
CID 10608436
[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol
CID 130754239
1,3-oxazinan-2-yl(phenyl)methanone
CID 121217862
3-benzyl-1,4-diazepan-2-one
CID 78068532
2-benzyloxepane
CID 14272917
(2S)-2-benzyl-1,4-diazocane
CID 101486734

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,4-oxazepan-2-ol?
The IUPAC name of 3-benzyl-1,4-oxazepan-2-ol (CID 173091475) is 3-benzyl-1,4-oxazepan-2-ol.
What is the SMILES notation for 3-benzyl-1,4-oxazepan-2-ol?
The canonical SMILES for 3-benzyl-1,4-oxazepan-2-ol is OC1OCCCNC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1,4-oxazepan-2-ol?
The InChIKey is WENWUYOWBHYGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-12-11(13-7-4-8-15-12)9-10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2.
What are the key properties of 3-benzyl-1,4-oxazepan-2-ol?
3-benzyl-1,4-oxazepan-2-ol has a molecular weight of 207.27 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,4-oxazepan-2-ol is sourced from PubChem (CID 173091475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).