[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol

C11H19N3O2 — CID 116637251

IUPAC[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
SMILESCc1nonc1CN1CCCCCC1CO
InChIInChI=1S/C11H19N3O2/c1-9-11(13-16-12-9)7-14-6-4-2-3-5-10(14)8-15/h10,15H,2-8H2,1H3
InChIKeyWLPSUAYPCIYLIQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.11
Rot. Bonds3

About [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol

[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol (PubChem CID 116637251) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
PubChem CID116637251
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
SMILESCc1nonc1CN1CCCCCC1CO
InChIInChI=1S/C11H19N3O2/c1-9-11(13-16-12-9)7-14-6-4-2-3-5-10(14)8-15/h10,15H,2-8H2,1H3
InChIKeyWLPSUAYPCIYLIQ-UHFFFAOYSA-N
XLogP1.11
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol
CID 47523985
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637274
[(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol
CID 94145485
2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79553266
(1-ethylazepan-2-yl)methanol
CID 2849413
[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol
CID 60685146
[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]azepan-2-yl]methanol
CID 126834158
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
[1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azepan-2-yl]methanol
CID 103182849
2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 103885778
[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 103897843
[1-[(2,5-dimethylphenyl)methyl]azepan-2-yl]methanol
CID 116637472

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol?
The IUPAC name of [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol (CID 116637251) is [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol is Cc1nonc1CN1CCCCCC1CO.
What is the InChIKey of [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol?
The InChIKey is WLPSUAYPCIYLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-11(13-16-12-9)7-14-6-4-2-3-5-10(14)8-15/h10,15H,2-8H2,1H3.
What are the key properties of [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol?
[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol has a molecular weight of 225.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol is sourced from PubChem (CID 116637251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).