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1035840-17-5 molecular structure
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(1-{[1,3]oxazolo[4,5-b]pyridin-2-yl}pyrrolidin-3-yl)methanamine

ChemBase ID: 306410
Molecular Formular: C11H14N4O
Molecular Mass: 218.25506
Monoisotopic Mass: 218.11676109
SMILES and InChIs

SMILES:
n1c(N2CC(CC2)CN)oc2c1nccc2
Canonical SMILES:
NCC1CCN(C1)c1nc2c(o1)cccn2
InChI:
InChI=1S/C11H14N4O/c12-6-8-3-5-15(7-8)11-14-10-9(16-11)2-1-4-13-10/h1-2,4,8H,3,5-7,12H2
InChIKey:
MEAMSTOPEAYMQF-UHFFFAOYSA-N

Cite this record

CBID:306410 http://www.chembase.cn/molecule-306410.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-{[1,3]oxazolo[4,5-b]pyridin-2-yl}pyrrolidin-3-yl)methanamine
IUPAC Traditional name
(1-{[1,3]oxazolo[4,5-b]pyridin-2-yl}pyrrolidin-3-yl)methanamine
Synonyms
1-(1-[1,3]oxazolo[4,5-b]pyridin-2-ylpyrrolidin-3-yl)methanamine
CAS Number
1035840-17-5
MDL Number
MFCD09701630

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
LogD (pH = 5.5) -2.5235102  H Acceptors
H Donor LogD (pH = 7.4) -1.8469535 
Log P 0.488258  Molar Refractivity 61.5409 cm3
Polarizability 23.410172 Å3 Polar Surface Area 68.18 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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