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1-{[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine

ChemBase ID: 320248
Molecular Formular: C18H23N5O3
Molecular Mass: 357.40692
Monoisotopic Mass: 357.18008962
SMILES and InChIs

SMILES:
c1(nc(on1)CN1CC(c2nc(no2)CC(C)C)CCC1)c1occc1
Canonical SMILES:
CC(Cc1noc(n1)C1CCCN(C1)Cc1onc(n1)c1ccco1)C
InChI:
InChI=1S/C18H23N5O3/c1-12(2)9-15-19-18(26-21-15)13-5-3-7-23(10-13)11-16-20-17(22-25-16)14-6-4-8-24-14/h4,6,8,12-13H,3,5,7,9-11H2,1-2H3
InChIKey:
VWJQMYMSFHSKDK-UHFFFAOYSA-N

Cite this record

CBID:320248 http://www.chembase.cn/molecule-320248.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine
IUPAC Traditional name
1-{[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine
Synonyms
1-{[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(3-isobutyl-1,2,4-oxadiazol-5-yl)piperidine

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) 1.9372207  LogD (pH = 7.4) 3.396835 
Log P 3.5894501  Molar Refractivity 107.4457 cm3
Polarizability 36.406727 Å3 Polar Surface Area 94.22 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.41  LOG S -2.86 
Polar Surface Area 94.22 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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