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8-{5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1,4-dioxa-8-azaspiro[4.5]decane

ChemBase ID: 510263
Molecular Formular: C18H24N4O3
Molecular Mass: 344.40816
Monoisotopic Mass: 344.18484065
SMILES and InChIs

SMILES:
n1c(onc1CC(C)C)c1cnc(N2CCC3(CC2)OCCO3)cc1
Canonical SMILES:
CC(Cc1noc(n1)c1ccc(nc1)N1CCC2(CC1)OCCO2)C
InChI:
InChI=1S/C18H24N4O3/c1-13(2)11-15-20-17(25-21-15)14-3-4-16(19-12-14)22-7-5-18(6-8-22)23-9-10-24-18/h3-4,12-13H,5-11H2,1-2H3
InChIKey:
OWMGWVUIFGVBEN-UHFFFAOYSA-N

Cite this record

CBID:510263 http://www.chembase.cn/molecule-510263.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-{5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1,4-dioxa-8-azaspiro[4.5]decane
IUPAC Traditional name
8-{5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1,4-dioxa-8-azaspiro[4.5]decane
Synonyms
8-[5-(3-isobutyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane

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) 3.695811  LogD (pH = 7.4) 3.7785532 
Log P 3.7797225  Molar Refractivity 104.6596 cm3
Polarizability 36.0857 Å3 Polar Surface Area 73.51 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.41  LOG S -4.79 
Polar Surface Area 73.51 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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