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1-{4-[5-(4-Fluoro-phenyl)-4-Methoxymethyl-Oxazol-2-yl]-Piperidin-1-yl}-Ethanone

HCID 18700425
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COCc1nc(C2CCN(C(C)=O)CC2)oc1-c1ccc(F)cc1
InChIKey
CMBVKUGJQAHKKA-UHFFFAOYSA-N
Molecular formula
C18H21FN2O3
Average molar mass
332.4 g/mol

Names & identifiers

Preferred name
1-{4-[5-(4-Fluoro-phenyl)-4-Methoxymethyl-Oxazol-2-yl]-Piperidin-1-yl}-Ethanone
IUPAC
1-[4-[5-(4-fluorophenyl)-4-(methoxymethyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

Names & synonyms

SCHEMBL8174233CMBVKUGJQAHKKA-UHFFFAOYSA-N1-{4-[5-(4-Fluoro-phenyl)-4-Methoxymethyl-Oxazol-2-yl]-Piperidin-1-yl}-Ethanone

Database identifiers

PubChem CID
18700425

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
55.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Formal charge
0
Complexity
420

Related reactions

4 records
New reaction record
HRID 135818 reaction equation
HRID 135818As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 184666 reaction equation
HRID 184666As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2288986 reaction equation
HRID 2288986As productuspto-grants-2000_07
HRID 2288987 reaction equation
HRID 2288987As reactantuspto-grants-2000_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes