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952283-54-4 molecular structure
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2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethan-1-amine

ChemBase ID: 309419
Molecular Formular: C7H11N3O
Molecular Mass: 153.18174
Monoisotopic Mass: 153.09021199
SMILES and InChIs

SMILES:
n1c(noc1CCN)C1CC1
Canonical SMILES:
NCCc1onc(n1)C1CC1
InChI:
InChI=1S/C7H11N3O/c8-4-3-6-9-7(10-11-6)5-1-2-5/h5H,1-4,8H2
InChIKey:
VOEMFJWEONPRDK-UHFFFAOYSA-N

Cite this record

CBID:309419 http://www.chembase.cn/molecule-309419.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethan-1-amine
IUPAC Traditional name
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine
Synonyms
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine
CAS Number
952283-54-4
MDL Number
MFCD11121014

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4041017 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.5754082  LogD (pH = 7.4) -1.261626 
Log P 0.51012397  Molar Refractivity 41.1975 cm3
Polarizability 15.320623 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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