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5-(4-tert-butylphenyl)-N-(7-ethoxy-5,8-dihydronaphthalen-1-yl)-1,3-oxazol-2-amine

HCID 67229901
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC1=CCc2cccc(Nc3ncc(-c4ccc(C(C)(C)C)cc4)o3)c2C1
InChIKey
ZEVPQRJXLQXABU-UHFFFAOYSA-N
Molecular formula
C25H28N2O2
Average molar mass
388.5 g/mol

Names & identifiers

Preferred name
5-(4-tert-butylphenyl)-N-(7-ethoxy-5,8-dihydronaphthalen-1-yl)-1,3-oxazol-2-amine
IUPAC
5-(4-tert-butylphenyl)-N-(7-ethoxy-5,8-dihydronaphthalen-1-yl)-1,3-oxazol-2-amine

Names & synonyms

SCHEMBL1964464ZEVPQRJXLQXABU-UHFFFAOYSA-N5-(4-tert-butylphenyl)-N-(7-ethoxy-5,8-dihydronaphthalen-1-yl)-1,3-oxazol-2-amine

Database identifiers

PubChem CID
67229901

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
47.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Formal charge
0
Complexity
562

Related reactions

3 records
New reaction record
HRID 600776 reaction equation
HRID 600776As reactantuspto-grants-2011_03
HRID 1552417 reaction equation
HRID 1552417As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1785539 reaction equation
HRID 1785539As reactantuspto-grants-2009_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes