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936940-68-0 molecular structure
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3-methyl-4-(pyrrolidin-2-yl)-1,2,5-oxadiazole

ChemBase ID: 307002
Molecular Formular: C7H11N3O
Molecular Mass: 153.18174
Monoisotopic Mass: 153.09021199
SMILES and InChIs

SMILES:
c1(nonc1C)C1NCCC1
Canonical SMILES:
Cc1nonc1C1CCCN1
InChI:
InChI=1S/C7H11N3O/c1-5-7(10-11-9-5)6-3-2-4-8-6/h6,8H,2-4H2,1H3
InChIKey:
DIYORNGAPDTTKE-UHFFFAOYSA-N

Cite this record

CBID:307002 http://www.chembase.cn/molecule-307002.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-4-(pyrrolidin-2-yl)-1,2,5-oxadiazole
IUPAC Traditional name
3-methyl-4-(pyrrolidin-2-yl)-1,2,5-oxadiazole
Synonyms
3-methyl-4-pyrrolidin-2-yl-1,2,5-oxadiazole
CAS Number
936940-68-0
MDL Number
MFCD09864281

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) -2.9659846  LogD (pH = 7.4) -1.3603824 
Log P -0.048964262  Molar Refractivity 41.0322 cm3
Polarizability 15.398616 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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