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1015846-73-7 molecular structure
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3-(3-ethyl-1,2,4-oxadiazol-5-yl)aniline

ChemBase ID: 308366
Molecular Formular: C10H11N3O
Molecular Mass: 189.21384
Monoisotopic Mass: 189.09021199
SMILES and InChIs

SMILES:
n1c(onc1CC)c1cc(N)ccc1
Canonical SMILES:
CCc1noc(n1)c1cccc(c1)N
InChI:
InChI=1S/C10H11N3O/c1-2-9-12-10(14-13-9)7-4-3-5-8(11)6-7/h3-6H,2,11H2,1H3
InChIKey:
QNURCZCTYZDDJD-UHFFFAOYSA-N

Cite this record

CBID:308366 http://www.chembase.cn/molecule-308366.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(3-ethyl-1,2,4-oxadiazol-5-yl)aniline
IUPAC Traditional name
3-(3-ethyl-1,2,4-oxadiazol-5-yl)aniline
Synonyms
3-(3-ethyl-1,2,4-oxadiazol-5-yl)aniline
CAS Number
1015846-73-7
MDL Number
MFCD09971308

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2235847  LogD (pH = 7.4) 2.2252154 
Log P 2.2252362  Molar Refractivity 65.7274 cm3
Polarizability 20.456505 Å3 Polar Surface Area 64.94 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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