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5-({3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl}methyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide

ChemBase ID: 370283
Molecular Formular: C18H22F2N4O2
Molecular Mass: 364.3896864
Monoisotopic Mass: 364.1710824
SMILES and InChIs

SMILES:
c1(nc(on1)CN1CC(CCc2c(F)cccc2F)CCC1)C(=O)NC
Canonical SMILES:
CNC(=O)c1noc(n1)CN1CCCC(C1)CCc1c(F)cccc1F
InChI:
InChI=1S/C18H22F2N4O2/c1-21-18(25)17-22-16(26-23-17)11-24-9-3-4-12(10-24)7-8-13-14(19)5-2-6-15(13)20/h2,5-6,12H,3-4,7-11H2,1H3,(H,21,25)
InChIKey:
AHPXNSOWRMJMFT-UHFFFAOYSA-N

Cite this record

CBID:370283 http://www.chembase.cn/molecule-370283.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-({3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl}methyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
IUPAC Traditional name
5-({3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl}methyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
Synonyms
5-({3-[2-(2,6-difluorophenyl)ethyl]-1-piperidinyl}methyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide

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 12.636047  H Acceptors
H Donor LogD (pH = 5.5) 1.8525201 
LogD (pH = 7.4) 2.9935114  Log P 3.0714283 
Molar Refractivity 94.5232 cm3 Polarizability 34.642044 Å3
Polar Surface Area 71.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.06  LOG S -4.47 
Polar Surface Area 71.26 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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