Home > Compound List > Compound details
1256643-63-6 molecular structure
click picture or here to close

3-bromo-5-propyl-1,2,4-oxadiazole

ChemBase ID: 309282
Molecular Formular: C5H7BrN2O
Molecular Mass: 191.02588
Monoisotopic Mass: 189.97417485
SMILES and InChIs

SMILES:
n1c(noc1CCC)Br
Canonical SMILES:
CCCc1nc(no1)Br
InChI:
InChI=1S/C5H7BrN2O/c1-2-3-4-7-5(6)8-9-4/h2-3H2,1H3
InChIKey:
VEFOSXNCDRYUNJ-UHFFFAOYSA-N

Cite this record

CBID:309282 http://www.chembase.cn/molecule-309282.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-5-propyl-1,2,4-oxadiazole
IUPAC Traditional name
3-bromo-5-propyl-1,2,4-oxadiazole
Synonyms
3-bromo-5-propyl-1,2,4-oxadiazole
CAS Number
1256643-63-6
MDL Number
MFCD18381910

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4039847 external link Add to cart
Data Source Data ID Price
ChemBridge
4039847 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) 1.9780439  LogD (pH = 7.4) 1.9780439 
Log P 1.9780439  Molar Refractivity 38.4402 cm3
Polarizability 14.080623 Å3 Polar Surface Area 38.92 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