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N-[5-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-4-phenyl-thiazol-2-yl]-isobutyramide

HCID 11638722
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1noc(-c2sc(NC(=O)C(C)C)nc2-c2ccccc2)n1
InChIKey
JABWEAZJMIIXFQ-UHFFFAOYSA-N
Molecular formula
C17H18N4O2S
Average molar mass
342.4 g/mol
Monoisotopic mass
342.115047

Names & identifiers

Preferred name
N-[5-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-4-phenyl-thiazol-2-yl]-isobutyramide
IUPAC
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpropanamide

Names & synonyms

SCHEMBL1449518JABWEAZJMIIXFQ-UHFFFAOYSA-NN-[5-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-4-phenyl-thiazol-2-yl]-isobutyramide

Database identifiers

PubChem CID
11638722

Properties

Computed structural propertiesFilling in

XLogP
3.9
Topological polar surface area
109 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
24
Formal charge
0
Complexity
431

Related reactions

2 records
New reaction record
HRID 604508 reaction equation
HRID 604508As productuspto-grants-2011_03
HRID 2323060 reaction equation
HRID 2323060As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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