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benzyl(cyclopropylmethyl)[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine

ChemBase ID: 865926
Molecular Formular: C20H21N3O
Molecular Mass: 319.40024
Monoisotopic Mass: 319.16846231
SMILES and InChIs

SMILES:
n1c(noc1CN(CC1CC1)Cc1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)CN(Cc1onc(n1)c1ccccc1)CC1CC1
InChI:
InChI=1S/C20H21N3O/c1-3-7-16(8-4-1)13-23(14-17-11-12-17)15-19-21-20(22-24-19)18-9-5-2-6-10-18/h1-10,17H,11-15H2
InChIKey:
AILORWSQFOKOBN-UHFFFAOYSA-N

Cite this record

CBID:865926 http://www.chembase.cn/molecule-865926.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl(cyclopropylmethyl)[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
IUPAC Traditional name
benzyl(cyclopropylmethyl)[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
Synonyms
N-benzyl-1-cyclopropyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66764027 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) 2.4948537  LogD (pH = 7.4) 4.218919 
Log P 4.726643  Molar Refractivity 106.5095 cm3
Polarizability 37.179203 Å3 Polar Surface Area 42.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.17  LOG S -3.5 
Polar Surface Area 42.16 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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