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N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide

ChemBase ID: 510120
Molecular Formular: C17H29N5O3
Molecular Mass: 351.44386
Monoisotopic Mass: 351.22703981
SMILES and InChIs

SMILES:
n1c(onc1CCOC)CN(C(=O)C1N(CC2(C1)CCNCC2)C)C
Canonical SMILES:
COCCc1noc(n1)CN(C(=O)C1CC2(CN1C)CCNCC2)C
InChI:
InChI=1S/C17H29N5O3/c1-21(11-15-19-14(20-25-15)4-9-24-3)16(23)13-10-17(12-22(13)2)5-7-18-8-6-17/h13,18H,4-12H2,1-3H3
InChIKey:
WTBYVIJSZPOOLZ-UHFFFAOYSA-N

Cite this record

CBID:510120 http://www.chembase.cn/molecule-510120.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide
IUPAC Traditional name
N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide
Synonyms
N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40475658 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)
H Acceptors H Donor
LogD (pH = 5.5) -6.020584  LogD (pH = 7.4) -3.6910145 
Log P -0.23590863  Molar Refractivity 95.4074 cm3
Polarizability 36.523266 Å3 Polar Surface Area 83.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.8  LOG S -2.39 
Polar Surface Area 83.73 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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