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

(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)({[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl})methylamine

ChemBase ID: 370952
Molecular Formular: C19H20N2O4
Molecular Mass: 340.3731
Monoisotopic Mass: 340.14230713
SMILES and InChIs

SMILES:
n1c(oc(c1CN(CC1Oc2c(OC1)cccc2)C)C)c1occc1
Canonical SMILES:
CN(Cc1nc(oc1C)c1ccco1)CC1COc2c(O1)cccc2
InChI:
InChI=1S/C19H20N2O4/c1-13-15(20-19(24-13)18-8-5-9-22-18)11-21(2)10-14-12-23-16-6-3-4-7-17(16)25-14/h3-9,14H,10-12H2,1-2H3
InChIKey:
KGUXJXPTRIPPAM-UHFFFAOYSA-N

Cite this record

CBID:370952 http://www.chembase.cn/molecule-370952.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)({[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl})methylamine
IUPAC Traditional name
(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)({[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl})methylamine
Synonyms
(2,3-dihydro-1,4-benzodioxin-2-ylmethyl){[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methyl}methylamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 18344712 external link Add to cart
Data Source Data ID Price
ChemBridge
18344712 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
Rotatable Bonds H Acceptors
H Donor Log P 3.32 
LOG S -2.85  Polar Surface Area 60.87 Å2
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 1.1666633 
LogD (pH = 7.4) 2.4735692  Log P 2.5972044 
Molar Refractivity 102.1467 cm3 Polarizability 36.18631 Å3
Polar Surface Area 60.87 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