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

N-benzyl-N-ethyl-3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide

ChemBase ID: 321833
Molecular Formular: C22H25N3O3
Molecular Mass: 379.4522
Monoisotopic Mass: 379.18959168
SMILES and InChIs

SMILES:
c1(nnc(o1)CCC(=O)N(Cc1ccccc1)CC)C(c1ccccc1)OC
Canonical SMILES:
CCN(C(=O)CCc1nnc(o1)C(c1ccccc1)OC)Cc1ccccc1
InChI:
InChI=1S/C22H25N3O3/c1-3-25(16-17-10-6-4-7-11-17)20(26)15-14-19-23-24-22(28-19)21(27-2)18-12-8-5-9-13-18/h4-13,21H,3,14-16H2,1-2H3
InChIKey:
MPTARRIDCUGACF-UHFFFAOYSA-N

Cite this record

CBID:321833 http://www.chembase.cn/molecule-321833.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-benzyl-N-ethyl-3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide
IUPAC Traditional name
N-benzyl-N-ethyl-3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide
Synonyms
N-benzyl-N-ethyl-3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11203052 external link Add to cart
Data Source Data ID Price
ChemBridge
11203052 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) 2.5096762  LogD (pH = 7.4) 2.5096762 
Log P 2.5096762  Molar Refractivity 108.5464 cm3
Polarizability 41.243183 Å3 Polar Surface Area 68.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.79  LOG S -3.73 
Polar Surface Area 68.46 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