4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile

HCID 367080
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Basic information

CAS
43229-82-9
Standard SMILES
CC1=NC(=Cc2ccc(C#N)cc2)C(=O)O1
InChIKey
NHXUQWNMPAHIRM-UHFFFAOYSA-N
Molecular formula
C12H8N2O2
Average molar mass
212.2 g/mol
Monoisotopic mass
212.0585775

Names & identifiers

Preferred name
4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrile
IUPAC
4-[(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]benzonitrile

Names & synonyms

43229-82-94-[(2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl]benzonitrile4-((2-Methyl-5-oxo-4(5H)-oxazolylidene)methyl)benzonitrileRefChem:2863324-[(2-methyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]benzonitrile4-(2-Methyl-5-oxooxazol-4-ylidenemethyl)benzonitrileSCHEMBL5634085NHXUQWNMPAHIRM-UHFFFAOYSA-NDTXSID1011944554-(4'-cyanobenzylidene)-2-methyl-5(4h)-oxazolone

Database identifiers

CAS
43229-82-9
PubChem CID
367080
DTXSID
DTXSID101194455

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
62.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
16

Related reactions

2 records
New reaction record

Compound notes

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