Home > Compound List > Compound details
915924-34-4 molecular structure
click picture or here to close

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

ChemBase ID: 33437
Molecular Formular: C8H14N4O
Molecular Mass: 182.22296
Monoisotopic Mass: 182.11676109
SMILES and InChIs

SMILES:
n1c(noc1C)CN1CCNCC1
Canonical SMILES:
Cc1onc(n1)CN1CCNCC1
InChI:
InChI=1S/C8H14N4O/c1-7-10-8(11-13-7)6-12-4-2-9-3-5-12/h9H,2-6H2,1H3
InChIKey:
DROXTTBMSQRZQH-UHFFFAOYSA-N

Cite this record

CBID:33437 http://www.chembase.cn/molecule-33437.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine
IUPAC Traditional name
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine
Synonyms
1-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]-piperazine
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine
CAS Number
915924-34-4
MDL Number
MFCD08444719
PubChem SID
160996744
PubChem CID
16228162

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16228162 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.383563  LogD (pH = 7.4) -1.9838897 
Log P -0.17661081  Molar Refractivity 49.9236 cm3
Polarizability 18.75547 Å3 Polar Surface Area 54.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle