Home > Compound List > Compound details
915924-45-7 molecular structure
click picture or here to close

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

ChemBase ID: 307165
Molecular Formular: C9H10N4O
Molecular Mass: 190.2019
Monoisotopic Mass: 190.08546096
SMILES and InChIs

SMILES:
n1c(onc1c1ccncc1)C(N)C
Canonical SMILES:
CC(c1onc(n1)c1ccncc1)N
InChI:
InChI=1S/C9H10N4O/c1-6(10)9-12-8(13-14-9)7-2-4-11-5-3-7/h2-6H,10H2,1H3
InChIKey:
QGJJFECXVDIPCW-UHFFFAOYSA-N

Cite this record

CBID:307165 http://www.chembase.cn/molecule-307165.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethan-1-amine
IUPAC Traditional name
1-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
Synonyms
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CAS Number
915924-45-7
MDL Number
MFCD08059869

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4012081 external link Add to cart
Data Source Data ID Price
ChemBridge
4012081 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) -1.0936186  LogD (pH = 7.4) 0.46485442 
Log P 0.7382148  Molar Refractivity 62.2226 cm3
Polarizability 20.030718 Å3 Polar Surface Area 77.83 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