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{1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidin-3-yl}methanol

ChemBase ID: 340439
Molecular Formular: C16H27N3O2
Molecular Mass: 293.40448
Monoisotopic Mass: 293.21032712
SMILES and InChIs

SMILES:
n1c(noc1C1CCCC1)CN1CC(CO)(CCC1)CC
Canonical SMILES:
CCC1(CO)CCCN(C1)Cc1noc(n1)C1CCCC1
InChI:
InChI=1S/C16H27N3O2/c1-2-16(12-20)8-5-9-19(11-16)10-14-17-15(21-18-14)13-6-3-4-7-13/h13,20H,2-12H2,1H3
InChIKey:
ALKXACAOVCBMPU-UHFFFAOYSA-N

Cite this record

CBID:340439 http://www.chembase.cn/molecule-340439.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidin-3-yl}methanol
IUPAC Traditional name
{1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidin-3-yl}methanol
Synonyms
{1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidin-3-yl}methanol

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)
Acid pKa 15.071732  H Acceptors
H Donor LogD (pH = 5.5) 1.9323452 
LogD (pH = 7.4) 2.7017133  Log P 2.729646 
Molar Refractivity 83.1568 cm3 Polarizability 31.83518 Å3
Polar Surface Area 62.39 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.37  LOG S -2.36 
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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INTERNET

INTERNET

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