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4-(furan-2-yl)-N-methyl-N-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}benzamide

ChemBase ID: 398831
Molecular Formular: C20H16N4O3
Molecular Mass: 360.36604
Monoisotopic Mass: 360.12224039
SMILES and InChIs

SMILES:
n1c(noc1CN(C(=O)c1ccc(c2occc2)cc1)C)c1cnccc1
Canonical SMILES:
CN(C(=O)c1ccc(cc1)c1ccco1)Cc1onc(n1)c1cccnc1
InChI:
InChI=1S/C20H16N4O3/c1-24(13-18-22-19(23-27-18)16-4-2-10-21-12-16)20(25)15-8-6-14(7-9-15)17-5-3-11-26-17/h2-12H,13H2,1H3
InChIKey:
DIGDKZPUALXVNT-UHFFFAOYSA-N

Cite this record

CBID:398831 http://www.chembase.cn/molecule-398831.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(furan-2-yl)-N-methyl-N-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
IUPAC Traditional name
4-(furan-2-yl)-N-methyl-N-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
Synonyms
4-(2-furyl)-N-methyl-N-{[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 22564629 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.7630565  LogD (pH = 7.4) 2.7687593 
Log P 2.7688324  Molar Refractivity 110.2668 cm3
Polarizability 38.74324 Å3 Polar Surface Area 85.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.52  LOG S -3.98 
Polar Surface Area 85.26 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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