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343246-61-7 molecular structure
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3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole

ChemBase ID: 309958
Molecular Formular: C7H11N3O
Molecular Mass: 153.18174
Monoisotopic Mass: 153.09021199
SMILES and InChIs

SMILES:
n1c(onc1C)[C@H]1NCCC1
Canonical SMILES:
Cc1noc(n1)[C@@H]1CCCN1
InChI:
InChI=1S/C7H11N3O/c1-5-9-7(11-10-5)6-3-2-4-8-6/h6,8H,2-4H2,1H3/t6-/m0/s1
InChIKey:
HVPGJKMIHQOPDG-LURJTMIESA-N

Cite this record

CBID:309958 http://www.chembase.cn/molecule-309958.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
IUPAC Traditional name
3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
Synonyms
3-methyl-5-[(2S)-2-pyrrolidinyl]-1,2,4-oxadiazole
CAS Number
343246-61-7
MDL Number
MFCD18071021

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) -1.9542326  LogD (pH = 7.4) -0.200695 
Log P 0.5458326  Molar Refractivity 41.1598 cm3
Polarizability 15.394599 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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