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880361-90-0 molecular structure
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methyl[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amine

ChemBase ID: 310370
Molecular Formular: C10H11N3O
Molecular Mass: 189.21384
Monoisotopic Mass: 189.09021199
SMILES and InChIs

SMILES:
n1c(oc(n1)CNC)c1ccccc1
Canonical SMILES:
CNCc1nnc(o1)c1ccccc1
InChI:
InChI=1S/C10H11N3O/c1-11-7-9-12-13-10(14-9)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3
InChIKey:
WVVQCQZLRFXKEZ-UHFFFAOYSA-N

Cite this record

CBID:310370 http://www.chembase.cn/molecule-310370.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amine
IUPAC Traditional name
methyl[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amine
Synonyms
N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CAS Number
880361-90-0
MDL Number
MFCD07186444

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
H Acceptors H Donor
LogD (pH = 5.5) -1.3558649  LogD (pH = 7.4) 0.26522696 
Log P 0.6109711  Molar Refractivity 64.6602 cm3
Polarizability 20.922108 Å3 Polar Surface Area 50.95 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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