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2-Methyl-1-(5-phenyl-1,2-oxazol-3-yl)-3-piperidin-1-ylpropan-1-one

HCID 19976904
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(CN1CCCCC1)C(=O)c1cc(-c2ccccc2)on1
InChIKey
IQBBNOAJYOLIKJ-UHFFFAOYSA-N
Molecular formula
C18H22N2O2
Average molar mass
298.4 g/mol
Monoisotopic mass
298.16812795

Names & identifiers

Preferred name
2-Methyl-1-(5-phenyl-1,2-oxazol-3-yl)-3-piperidin-1-ylpropan-1-one
IUPAC
2-methyl-1-(5-phenyl-1,2-oxazol-3-yl)-3-piperidin-1-ylpropan-1-one

Names & synonyms

SCHEMBL8879705

Database identifiers

PubChem CID
19976904

Properties

Computed structural propertiesFilling in

XLogP
3.4
Topological polar surface area
46.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
22
Formal charge
0
Complexity
362

Related reactions

1 records
New reaction record
HRID 2312285 reaction equation
HRID 2312285As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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