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3-[1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)piperidin-2-yl]propan-1-ol

ChemBase ID: 510124
Molecular Formular: C23H33N3O2
Molecular Mass: 383.52702
Monoisotopic Mass: 383.25727731
SMILES and InChIs

SMILES:
c1(nc(on1)CN1C(CCCO)CCCC1)C1(c2ccc(cc2)C)CCCC1
Canonical SMILES:
OCCCC1CCCCN1Cc1onc(n1)C1(CCCC1)c1ccc(cc1)C
InChI:
InChI=1S/C23H33N3O2/c1-18-9-11-19(12-10-18)23(13-3-4-14-23)22-24-21(28-25-22)17-26-15-5-2-7-20(26)8-6-16-27/h9-12,20,27H,2-8,13-17H2,1H3
InChIKey:
SQYKBURVPVCAHA-UHFFFAOYSA-N

Cite this record

CBID:510124 http://www.chembase.cn/molecule-510124.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)piperidin-2-yl]propan-1-ol
IUPAC Traditional name
3-[1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)piperidin-2-yl]propan-1-ol
Synonyms
3-[1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-piperidinyl]-1-propanol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40476070 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)
Acid pKa 15.972054  H Acceptors
H Donor LogD (pH = 5.5) 3.158244 
LogD (pH = 7.4) 4.6830096  Log P 4.9192243 
Molar Refractivity 123.5155 cm3 Polarizability 43.17715 Å3
Polar Surface Area 62.39 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.23  LOG S -4.35 
Polar Surface Area 62.39 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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