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[(5-cyclopropyl-1,2-oxazol-3-yl)methyl](methyl)({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine

ChemBase ID: 323932
Molecular Formular: C17H20N4O
Molecular Mass: 296.3669
Monoisotopic Mass: 296.16371128
SMILES and InChIs

SMILES:
c1(n2c(nc1C)cccc2)CN(Cc1noc(c1)C1CC1)C
Canonical SMILES:
CN(Cc1c(C)nc2n1cccc2)Cc1noc(c1)C1CC1
InChI:
InChI=1S/C17H20N4O/c1-12-15(21-8-4-3-5-17(21)18-12)11-20(2)10-14-9-16(22-19-14)13-6-7-13/h3-5,8-9,13H,6-7,10-11H2,1-2H3
InChIKey:
WUBUTNRJYDROHU-UHFFFAOYSA-N

Cite this record

CBID:323932 http://www.chembase.cn/molecule-323932.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(5-cyclopropyl-1,2-oxazol-3-yl)methyl](methyl)({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine
IUPAC Traditional name
[(5-cyclopropyl-1,2-oxazol-3-yl)methyl](methyl)({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine
Synonyms
1-(5-cyclopropylisoxazol-3-yl)-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Polarizability 32.3892 Å3 Polar Surface Area 46.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 0.38193583  LogD (pH = 7.4) 1.490842 
Log P 1.5461385  Molar Refractivity 86.8236 cm3
Polar Surface Area 46.57 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 2.35  LOG S -2.36 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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