Home > Compound List > Compound details
90221-15-1 molecular structure
click picture or here to close

5-cyclopentyl-1,3,4-oxadiazol-2-amine

ChemBase ID: 34608
Molecular Formular: C7H11N3O
Molecular Mass: 153.18174
Monoisotopic Mass: 153.09021199
SMILES and InChIs

SMILES:
n1nc(oc1C1CCCC1)N
Canonical SMILES:
Nc1nnc(o1)C1CCCC1
InChI:
InChI=1S/C7H11N3O/c8-7-10-9-6(11-7)5-3-1-2-4-5/h5H,1-4H2,(H2,8,10)
InChIKey:
ZMMAKUGJTOHVRG-UHFFFAOYSA-N

Cite this record

CBID:34608 http://www.chembase.cn/molecule-34608.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-cyclopentyl-1,3,4-oxadiazol-2-amine
IUPAC Traditional name
5-cyclopentyl-1,3,4-oxadiazol-2-amine
Synonyms
5-Cyclopentyl-1,3,4-oxadiazol-2-amine
CAS Number
90221-15-1
MDL Number
MFCD09806418
PubChem SID
160997915
PubChem CID
20117955

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 20117955 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.863551  H Acceptors
H Donor LogD (pH = 5.5) 0.602007 
LogD (pH = 7.4) 0.60200644  Log P 0.60200787 
Molar Refractivity 42.1992 cm3 Polarizability 15.02862 Å3
Polar Surface Area 64.94 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