Home > Compound List > Compound details
 molecular structure
click picture or here to close

2-(methoxymethyl)-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

ChemBase ID: 340881
Molecular Formular: C17H23N3O3
Molecular Mass: 317.38282
Monoisotopic Mass: 317.17394161
SMILES and InChIs

SMILES:
n1c(noc1CN1C(COC)CCCC1)c1ccc(cc1)OC
Canonical SMILES:
COCC1CCCCN1Cc1onc(n1)c1ccc(cc1)OC
InChI:
InChI=1S/C17H23N3O3/c1-21-12-14-5-3-4-10-20(14)11-16-18-17(19-23-16)13-6-8-15(22-2)9-7-13/h6-9,14H,3-5,10-12H2,1-2H3
InChIKey:
SPCQFYMVBCVEAO-UHFFFAOYSA-N

Cite this record

CBID:340881 http://www.chembase.cn/molecule-340881.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(methoxymethyl)-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
IUPAC Traditional name
2-(methoxymethyl)-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
Synonyms
2-(methoxymethyl)-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13942599 external link Add to cart
Data Source Data ID Price
ChemBridge
13942599 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.8388492  LogD (pH = 7.4) 2.4597914 
Log P 2.7882159  Molar Refractivity 99.2738 cm3
Polarizability 34.45219 Å3 Polar Surface Area 60.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.64  LOG S -1.49 
Polar Surface Area 60.62 Å2 Rotatable Bonds

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