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

3-{5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-[1-(3-methoxyphenyl)ethyl]-N-methylpropanamide

ChemBase ID: 410362
Molecular Formular: C24H29N3O5
Molecular Mass: 439.50416
Monoisotopic Mass: 439.21072104
SMILES and InChIs

SMILES:
n1nc(oc1Cc1c(ccc(c1)OC)OC)CCC(=O)N(C(c1cc(OC)ccc1)C)C
Canonical SMILES:
COc1ccc(c(c1)Cc1nnc(o1)CCC(=O)N(C(c1cccc(c1)OC)C)C)OC
InChI:
InChI=1S/C24H29N3O5/c1-16(17-7-6-8-19(13-17)29-3)27(2)24(28)12-11-22-25-26-23(32-22)15-18-14-20(30-4)9-10-21(18)31-5/h6-10,13-14,16H,11-12,15H2,1-5H3
InChIKey:
IZSQRMQQOJGBIM-UHFFFAOYSA-N

Cite this record

CBID:410362 http://www.chembase.cn/molecule-410362.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-[1-(3-methoxyphenyl)ethyl]-N-methylpropanamide
IUPAC Traditional name
3-{5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-[1-(3-methoxyphenyl)ethyl]-N-methylpropanamide
Synonyms
3-[5-(2,5-dimethoxybenzyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methoxyphenyl)ethyl]-N-methylpropanamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 24388046 external link Add to cart
Data Source Data ID Price
ChemBridge
24388046 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) 2.1684613  LogD (pH = 7.4) 2.1684613 
Log P 2.1684613  Molar Refractivity 121.5168 cm3
Polarizability 46.212505 Å3 Polar Surface Area 86.92 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.21  LOG S -3.7 
Polar Surface Area 86.92 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