{1-[5-(1-Hydroxy-1-methylethyl)-isoxazol-3-yl]propyl}malononitrile

HCID 57736323
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Basic information

Standard SMILES
CCC(c1cc(C(C)(C)O)on1)C(C#N)C#N
InChIKey
BNBXHZPUKOIGGY-UHFFFAOYSA-N
Molecular formula
C12H15N3O2
Average molar mass
233.27 g/mol

Names & identifiers

Preferred name
{1-[5-(1-Hydroxy-1-methylethyl)-isoxazol-3-yl]propyl}malononitrile
IUPAC
2-[1-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]propyl]propanedinitrile

Names & synonyms

SCHEMBL3765451BNBXHZPUKOIGGY-UHFFFAOYSA-N{1-[5-(1-hydroxy-1-methylethyl)-isoxazol-3-yl]propyl}malononitrile

Database identifiers

PubChem CID
57736323

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
93.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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