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2-(3-Ethyl-1,2,4-oxadiazol-5-YL)ethanamine

HCID 28063158
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
944896-78-0
Standard SMILES
CCc1noc(CCN)n1
InChIKey
GKJJABSPCCAZGZ-UHFFFAOYSA-N
Molecular formula
C6H11N3O
Average molar mass
141.17 g/mol
Monoisotopic mass
141.09021198

Names & identifiers

Preferred name
2-(3-Ethyl-1,2,4-oxadiazol-5-YL)ethanamine
IUPAC
2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine
English name
3-Ethyl-1,2,4-oxadiazole-5-ethanaMine
Molecular formula
C6H11N3O
Molecular weight
141.17

Names & synonyms

944896-78-02-(3-ETHYL-1,2,4-OXADIAZOL-5-YL)ETHANAMINE2-(3-ETHYL-1,2,4-OXADIAZOL-5-YL)ETHAN-1-AMINE2-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-ethylamineSCHEMBL1787237DTXSID70650793GKJJABSPCCAZGZ-UHFFFAOYSA-NALBB-033087AKOS009228374AB55637DB-337595CS-0296807
Show more names
3-Ethyl-1,2,4-oxadiazole-5-ethanaMine1,2,4-Oxadiazole-5-ethanamine, 3-ethyl-
EN300-672805

Database identifiers

CAS
944896-78-0
PubChem CID
28063158
DTXSID
DTXSID70650793

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
64.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
10
Formal charge
0
Complexity
99

Chemistry & industry

Suppliers2 total

深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]

Related reactions

3 records
New reaction record
HRID 1126661 reaction equation
HRID 1126661As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1951217 reaction equation
HRID 1951217As productuspto-grants-2013_03
HRID 2330754 reaction equation
HRID 2330754As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes