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

C11H19N3O2 — CID 116637274

IUPAC[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
SMILESCc1nc(CN2CCCCCC2CO)no1
InChIInChI=1S/C11H19N3O2/c1-9-12-11(13-16-9)7-14-6-4-2-3-5-10(14)8-15/h10,15H,2-8H2,1H3
InChIKeyJQOYDDNYOPLPBE-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.11
Rot. Bonds3

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

[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol (PubChem CID 116637274) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
PubChem CID116637274
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
SMILESCc1nc(CN2CCCCCC2CO)no1
InChIInChI=1S/C11H19N3O2/c1-9-12-11(13-16-9)7-14-6-4-2-3-5-10(14)8-15/h10,15H,2-8H2,1H3
InChIKeyJQOYDDNYOPLPBE-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

2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 62020461
5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 172900478
[1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanol
CID 110903092
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanone
CID 63846365
[(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol
CID 94145485
[(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol
CID 11523409
[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637251
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol
CID 47523985
[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 111858339
2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 62021392
[(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028528
[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 62016869

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol?
The IUPAC name of [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol (CID 116637274) is [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol is Cc1nc(CN2CCCCCC2CO)no1.
What is the InChIKey of [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol?
The InChIKey is JQOYDDNYOPLPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-12-11(13-16-9)7-14-6-4-2-3-5-10(14)8-15/h10,15H,2-8H2,1H3.
What are the key properties of [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol?
[1-[(5-methyl-1,2,4-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-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol is sourced from PubChem (CID 116637274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).