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4-(2-methyl-1-{2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}propan-2-yl)morpholine

ChemBase ID: 370760
Molecular Formular: C17H30N4O2
Molecular Mass: 322.4457
Monoisotopic Mass: 322.23687622
SMILES and InChIs

SMILES:
n1c(onc1C(C)C)C1N(CC(N2CCOCC2)(C)C)CCC1
Canonical SMILES:
CC(c1noc(n1)C1CCCN1CC(N1CCOCC1)(C)C)C
InChI:
InChI=1S/C17H30N4O2/c1-13(2)15-18-16(23-19-15)14-6-5-7-20(14)12-17(3,4)21-8-10-22-11-9-21/h13-14H,5-12H2,1-4H3
InChIKey:
BOZYXUMROSMVQO-UHFFFAOYSA-N

Cite this record

CBID:370760 http://www.chembase.cn/molecule-370760.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-methyl-1-{2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}propan-2-yl)morpholine
IUPAC Traditional name
4-{1-[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl}morpholine
Synonyms
4-{2-[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,1-dimethylethyl}morpholine

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) -0.12814254  LogD (pH = 7.4) 1.6632594 
Log P 2.413131  Molar Refractivity 91.8065 cm3
Polarizability 35.272953 Å3 Polar Surface Area 54.63 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.39  LOG S -1.73 
Polar Surface Area 54.63 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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