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

N-(1H-1,3-benzodiazol-2-yl)-2-({[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}amino)acetamide

ChemBase ID: 460198
Molecular Formular: C16H18N6O3
Molecular Mass: 342.35252
Monoisotopic Mass: 342.14403847
SMILES and InChIs

SMILES:
c1(nc2c([nH]1)cccc2)NC(=O)CNCc1nc(on1)C1OCCC1
Canonical SMILES:
O=C(Nc1nc2c([nH]1)cccc2)CNCc1noc(n1)C1CCCO1
InChI:
InChI=1S/C16H18N6O3/c23-14(21-16-18-10-4-1-2-5-11(10)19-16)9-17-8-13-20-15(25-22-13)12-6-3-7-24-12/h1-2,4-5,12,17H,3,6-9H2,(H2,18,19,21,23)
InChIKey:
YXOLWHUJIWXHMA-UHFFFAOYSA-N

Cite this record

CBID:460198 http://www.chembase.cn/molecule-460198.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1H-1,3-benzodiazol-2-yl)-2-({[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}amino)acetamide
IUPAC Traditional name
N-(1H-1,3-benzodiazol-2-yl)-2-({[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}amino)acetamide
Synonyms
N-1H-benzimidazol-2-yl-2-({[5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]methyl}amino)acetamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 32298796 external link Add to cart
Data Source Data ID Price
ChemBridge
32298796 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 9.554717  H Acceptors
H Donor LogD (pH = 5.5) 1.0422084 
LogD (pH = 7.4) 1.3365471  Log P 1.3449013 
Molar Refractivity 90.3589 cm3 Polarizability 34.95798 Å3
Polar Surface Area 117.96 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.02  LOG S -3.02 
Polar Surface Area 117.96 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