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{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}(2-methoxyethyl)methylamine

ChemBase ID: 341318
Molecular Formular: C13H16ClN3O2
Molecular Mass: 281.73804
Monoisotopic Mass: 281.09310445
SMILES and InChIs

SMILES:
n1c(noc1CN(CCOC)C)c1ccc(cc1)Cl
Canonical SMILES:
COCCN(Cc1onc(n1)c1ccc(cc1)Cl)C
InChI:
InChI=1S/C13H16ClN3O2/c1-17(7-8-18-2)9-12-15-13(16-19-12)10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3
InChIKey:
JVGCRSMKXRJEOG-UHFFFAOYSA-N

Cite this record

CBID:341318 http://www.chembase.cn/molecule-341318.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}(2-methoxyethyl)methylamine
IUPAC Traditional name
{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}(2-methoxyethyl)methylamine
Synonyms
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methoxy-N-methylethanamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 1.2908263  LogD (pH = 7.4) 2.576353 
Log P 2.692465  Molar Refractivity 85.8032 cm3
Polarizability 29.024534 Å3 Polar Surface Area 51.39 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.25  LOG S -1.4 
Polar Surface Area 51.39 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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