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Methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2-ethylphenyl]-2-ethoxypropanoate

HCID 69486909
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(Cc1ccc(OCc2nc(C(C)(C)C)oc2C)cc1CC)C(=O)OC
InChIKey
CPXWAMUNHKHQGF-UHFFFAOYSA-N
Molecular formula
C23H33NO5
Average molar mass
403.5 g/mol

Names & identifiers

Preferred name
Methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2-ethylphenyl]-2-ethoxypropanoate
IUPAC
methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2-ethylphenyl]-2-ethoxypropanoate

Names & synonyms

SCHEMBL5557858

Database identifiers

PubChem CID
69486909

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
70.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
29
Formal charge
0
Complexity
506

Related reactions

2 records
New reaction record
HRID 99108 reaction equation
HRID 99108As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1224125 reaction equation
HRID 1224125As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes