Home > Compound List > Compound details
915921-79-8 molecular structure
click picture or here to close

1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine

ChemBase ID: 307162
Molecular Formular: C7H13N3O2
Molecular Mass: 171.19702
Monoisotopic Mass: 171.10077667
SMILES and InChIs

SMILES:
n1c(onc1CCOC)C(N)C
Canonical SMILES:
COCCc1noc(n1)C(N)C
InChI:
InChI=1S/C7H13N3O2/c1-5(8)7-9-6(10-12-7)3-4-11-2/h5H,3-4,8H2,1-2H3
InChIKey:
VOPQTOVQOMFROW-UHFFFAOYSA-N

Cite this record

CBID:307162 http://www.chembase.cn/molecule-307162.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine
IUPAC Traditional name
1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
Synonyms
1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CAS Number
915921-79-8
MDL Number
MFCD08059867

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4012077 external link Add to cart
Data Source Data ID Price
ChemBridge
4012077 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7481395  LogD (pH = 7.4) -0.18682873 
Log P 0.08985284  Molar Refractivity 44.7456 cm3
Polarizability 16.843542 Å3 Polar Surface Area 74.17 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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