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6-Methyl-4'(3-methyl-[1,2,4]oxadiazol-5-yl)biphenyl-3-carboxylic acid [1,3,4]thiadiazol-2-ylamide

HCID 10249016
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1noc(-c2ccc(-c3cc(C(=O)Nc4nncs4)ccc3C)cc2)n1
InChIKey
AJIOSESLYOESOV-UHFFFAOYSA-N
Molecular formula
C19H15N5O2S
Average molar mass
377.4 g/mol

Names & identifiers

Preferred name
6-Methyl-4'(3-methyl-[1,2,4]oxadiazol-5-yl)biphenyl-3-carboxylic acid [1,3,4]thiadiazol-2-ylamide
IUPAC
4-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)benzamide

Names & synonyms

SCHEMBL5898946AJIOSESLYOESOV-UHFFFAOYSA-N6-Methyl-4'(3-methyl-[1,2,4]oxadiazol-5-yl)biphenyl-3-carboxylic acid [1,3,4]thiadiazol-2-ylamide6-methyl-4'(3-methyl-[1,2,4]oxadiazol-5-yl)biphenyl-3-carboxylic acid[1,3,4]thiadiazol-2-ylamide

Database identifiers

PubChem CID
10249016

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
122 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
27
Formal charge
0
Complexity
516

Related reactions

2 records
New reaction record
HRID 31455 reaction equation
HRID 31455As productuspto-grants-2008_09
HRID 663040 reaction equation
HRID 663040As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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