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{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}[1-(pyridin-2-yl)propan-2-yl]amine

ChemBase ID: 322855
Molecular Formular: C18H20N4O2
Molecular Mass: 324.377
Monoisotopic Mass: 324.1586259
SMILES and InChIs

SMILES:
n1c(noc1CNC(Cc1ncccc1)C)c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)c1noc(n1)CNC(Cc1ccccn1)C
InChI:
InChI=1S/C18H20N4O2/c1-13(11-15-5-3-4-10-19-15)20-12-17-21-18(22-24-17)14-6-8-16(23-2)9-7-14/h3-10,13,20H,11-12H2,1-2H3
InChIKey:
ZRKFNXBLVIBFQP-UHFFFAOYSA-N

Cite this record

CBID:322855 http://www.chembase.cn/molecule-322855.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}[1-(pyridin-2-yl)propan-2-yl]amine
IUPAC Traditional name
{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}[1-(pyridin-2-yl)propan-2-yl]amine
Synonyms
N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(2-pyridinyl)-2-propanamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11350051 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) 0.95351213  LogD (pH = 7.4) 2.5729582 
Log P 2.895762  Molar Refractivity 102.1751 cm3
Polarizability 35.738228 Å3 Polar Surface Area 73.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.92  LOG S -1.75 
Polar Surface Area 73.07 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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