3-({[1,5-bis(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]oxy}methyl)-1,2,4-oxadiazole

HCID 10199702

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(-c2nc(OCc3ncon3)nn2-c2ccc(OC)cc2)cc1
InChIKey: PPIUYMGMRSTCTQ-UHFFFAOYSA-N
Molecular formula: C19H17N5O4
Average molar mass: 379.4 g/mol

Names & identifiers

Preferred name: 3-({[1,5-bis(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]oxy}methyl)-1,2,4-oxadiazole
IUPAC: 3-[[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]oxymethyl]-1,2,4-oxadiazole

Names & synonyms

SCHEMBL6132347PPIUYMGMRSTCTQ-UHFFFAOYSA-N3-({[1,5-bis(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]oxy}meth yl)-1,2,4-oxadiazole3-({[1,5-bis(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]oxy}methyl)-1,2,4-oxadiazole

Database identifiers

PubChem CID: 10199702

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 97.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 28
Formal charge: 0
Complexity: 471

Related reactions

2 records

New reaction record

HRID 584751As productuspto-grants-2005_08

HRID 2159199As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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