5-[3-Methoxy-4-(4-methyl-3-thienyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

HCID 59606535
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Basic information

Standard SMILES
COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(OC)c2)n1
InChIKey
HUTYLAHXIZDFAW-UHFFFAOYSA-N
Molecular formula
C21H18N2O3S
Average molar mass
378.4 g/mol

Names & identifiers

Preferred name
5-[3-Methoxy-4-(4-methyl-3-thienyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
IUPAC
5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

Names & synonyms

SCHEMBL3765340CHEMBL3699124HUTYLAHXIZDFAW-UHFFFAOYSA-NBDBM139207US8889668, I485-[3-METHOXY-4-(4-METHYL-3-THIENYL)PHENYL]-3-(2-METHOXYPHENYL)-1,2,4-OXADIAZOLE

Database identifiers

PubChem CID
59606535
ChEMBL
CHEMBL3699124

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
85.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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