2,3'-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxylic acid

HCID 21833763
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Basic information

Standard SMILES
Cc1nnc(-c2ccc(-c3ccc(C(=O)O)cc3C)cc2C)o1
InChIKey
PNDYDEXKWAHTBW-UHFFFAOYSA-N
Molecular formula
C18H16N2O3
Average molar mass
308.3 g/mol
Monoisotopic mass
308.11609238

Names & identifiers

Preferred name
2,3'-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxylic acid
IUPAC
3-methyl-4-[3-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoic acid

Names & synonyms

SCHEMBL7832639PNDYDEXKWAHTBW-UHFFFAOYSA-N2,3'-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxylic acid

Database identifiers

PubChem CID
21833763

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
76.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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