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

{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)(thiophen-3-ylmethyl)amine

ChemBase ID: 341301
Molecular Formular: C22H21N3OS
Molecular Mass: 375.48664
Monoisotopic Mass: 375.14053331
SMILES and InChIs

SMILES:
c1(nc(on1)CN(Cc1cscc1)C)C(c1ccccc1)c1ccccc1
Canonical SMILES:
CN(Cc1onc(n1)C(c1ccccc1)c1ccccc1)Cc1cscc1
InChI:
InChI=1S/C22H21N3OS/c1-25(14-17-12-13-27-16-17)15-20-23-22(24-26-20)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,21H,14-15H2,1H3
InChIKey:
XAIHRGRIASGPBB-UHFFFAOYSA-N

Cite this record

CBID:341301 http://www.chembase.cn/molecule-341301.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)(thiophen-3-ylmethyl)amine
IUPAC Traditional name
{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)(thiophen-3-ylmethyl)amine
Synonyms
1-[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-thienylmethyl)methanamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 14000825 external link Add to cart
Data Source Data ID Price
ChemBridge
14000825 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) 4.5427103  LogD (pH = 7.4) 5.337256 
Log P 5.367271  Molar Refractivity 110.278 cm3
Polarizability 41.667305 Å3 Polar Surface Area 42.16 Å2
Rotatable Bonds Lipinski's Rule of Five false 
H Acceptors H Donor
Log P 4.25  LOG S -4.32 
Polar Surface Area 42.16 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