1-benzyl-3-([4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-3-(methoxymethoxy)benzyl]oxy)-1H-pyrazole-4-carbaldehyde

HCID 23076569

Notes Reactions

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Basic information

Standard SMILES: COCOc1cc(COc2nn(Cc3ccccc3)cc2C=O)ccc1OCc1nc(-c2ccco2)oc1C
InChIKey: RZENUVIBTMHDBN-UHFFFAOYSA-N
Molecular formula: C29H27N3O7
Average molar mass: 529.5 g/mol

Names & identifiers

Preferred name: 1-benzyl-3-([4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-3-(methoxymethoxy)benzyl]oxy)-1H-pyrazole-4-carbaldehyde
IUPAC: 1-benzyl-3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-(methoxymethoxy)phenyl]methoxy]pyrazole-4-carbaldehyde

Names & synonyms

SCHEMBL4844187RZENUVIBTMHDBN-UHFFFAOYSA-N1-benzyl-3-([4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-3-(methoxymethoxy)benzyl]oxy)-1H-pyrazole-4-carbaldehyde

Database identifiers

PubChem CID: 23076569

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 111 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 13
Heavy atoms: 39
Formal charge: 0
Complexity: 742

Related reactions

2 records

New reaction record

HRID 196327As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 2221759As productuspto-grants-2008_05

Compound notes

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