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[1-(4-methylphenyl)propan-2-yl]({1-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl})amine

ChemBase ID: 410075
Molecular Formular: C17H25N3O
Molecular Mass: 287.3999
Monoisotopic Mass: 287.19976244
SMILES and InChIs

SMILES:
n1c(onc1C(C)C)C(NC(Cc1ccc(cc1)C)C)C
Canonical SMILES:
CC(NC(c1onc(n1)C(C)C)C)Cc1ccc(cc1)C
InChI:
InChI=1S/C17H25N3O/c1-11(2)16-19-17(21-20-16)14(5)18-13(4)10-15-8-6-12(3)7-9-15/h6-9,11,13-14,18H,10H2,1-5H3
InChIKey:
DESUOOVDXCMDOW-UHFFFAOYSA-N

Cite this record

CBID:410075 http://www.chembase.cn/molecule-410075.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(4-methylphenyl)propan-2-yl]({1-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl})amine
IUPAC Traditional name
[1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl][1-(4-methylphenyl)propan-2-yl]amine
Synonyms
N-[1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)-2-propanamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 2.634643  LogD (pH = 7.4) 4.265388 
Log P 4.6166167  Molar Refractivity 86.3964 cm3
Polarizability 32.895874 Å3 Polar Surface Area 50.95 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.27  LOG S -3.08 
Polar Surface Area 50.95 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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