[6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone

C19H27NO3 — CID 70723981

IUPAC[6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone
SMILESO=C(N1CCOCC(CO)C1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H27NO3/c21-14-16-13-20(11-12-23-15-16)18(22)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8,16,21H,2,5-6,9-15H2
InChIKeyLIWHXEUYZWLIBI-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.36
Rot. Bonds3

About [6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone

[6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone (PubChem CID 70723981) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone.

Molecular Properties

Compound Name[6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone
PubChem CID70723981
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone
SMILESO=C(N1CCOCC(CO)C1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H27NO3/c21-14-16-13-20(11-12-23-15-16)18(22)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8,16,21H,2,5-6,9-15H2
InChIKeyLIWHXEUYZWLIBI-UHFFFAOYSA-N
XLogP2.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 81196589
(1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124981222
(1-phenylcyclopentyl)-[(6S)-6-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124978155
[(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone
CID 124960549
morpholin-4-yl-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]methanone
CID 56807476
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 119541574
[1-(4-fluorophenyl)cyclopentyl]-[(6S)-6-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124981073
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
(1-phenylcyclopropyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71929478
(3S,4S)-3-hydroxy-1-(1-phenylcyclohexanecarbonyl)-4-propylpiperidine-4-carboxylic acid
CID 163307973
[1-(3-fluorophenyl)cyclopentyl]-[(6R)-6-(quinolin-8-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124995675
[1-(3-fluorophenyl)cyclopentyl]-[6-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110149135

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone?
The IUPAC name of [6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone (CID 70723981) is [6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone.
What is the SMILES notation for [6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone?
The canonical SMILES for [6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone is O=C(N1CCOCC(CO)C1)C1(c2ccccc2)CCCCC1.
What is the InChIKey of [6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone?
The InChIKey is LIWHXEUYZWLIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c21-14-16-13-20(11-12-23-15-16)18(22)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8,16,21H,2,5-6,9-15H2.
What are the key properties of [6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone?
[6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone has a molecular weight of 317.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone is sourced from PubChem (CID 70723981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).