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

C12H22N4O2 — CID 106965424

IUPAC[1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]azepan-2-yl]methanol
SMILESCNC(C)c1nnc(N2CCCCCC2CO)o1
InChIInChI=1S/C12H22N4O2/c1-9(13-2)11-14-15-12(18-11)16-7-5-3-4-6-10(16)8-17/h9-10,13,17H,3-8H2,1-2H3
InChIKeyYPIVSTUCGBSNSW-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.09
Rot. Bonds4

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

[1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]azepan-2-yl]methanol (PubChem CID 106965424) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is [1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]azepan-2-yl]methanol
PubChem CID106965424
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name[1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]azepan-2-yl]methanol
SMILESCNC(C)c1nnc(N2CCCCCC2CO)o1
InChIInChI=1S/C12H22N4O2/c1-9(13-2)11-14-15-12(18-11)16-7-5-3-4-6-10(16)8-17/h9-10,13,17H,3-8H2,1-2H3
InChIKeyYPIVSTUCGBSNSW-UHFFFAOYSA-N
XLogP1.09
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide
CID 106970901
2-(1-chloroethyl)-5-(2-ethylazepan-1-yl)-1,3,4-oxadiazole
CID 106958564
3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 106960724
3-[1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 106960720
[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol
CID 106965567
N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106965925
1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 106967208
N-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106960047
2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 116637793
[1-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]azepan-2-yl]methanol
CID 116635501
N-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106968736
1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164606

Frequently Asked Questions

What is the IUPAC name of [1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]azepan-2-yl]methanol?
The IUPAC name of [1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]azepan-2-yl]methanol (CID 106965424) is [1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]azepan-2-yl]methanol?
The canonical SMILES for [1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]azepan-2-yl]methanol is CNC(C)c1nnc(N2CCCCCC2CO)o1.
What is the InChIKey of [1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]azepan-2-yl]methanol?
The InChIKey is YPIVSTUCGBSNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9(13-2)11-14-15-12(18-11)16-7-5-3-4-6-10(16)8-17/h9-10,13,17H,3-8H2,1-2H3.
What are the key properties of [1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]azepan-2-yl]methanol?
[1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]azepan-2-yl]methanol has a molecular weight of 254.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]azepan-2-yl]methanol is sourced from PubChem (CID 106965424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).