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ethyl 3-[(4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-3-methoxybenzyl)oxy]-1-methyl-1H-pyrazole-4-carboxylate

HCID 69217831
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1cn(C)nc1OCc1ccc(OCc2nc(-c3ccco3)oc2C)c(OC)c1
InChIKey
AQHUBSGRFDCILI-UHFFFAOYSA-N
Molecular formula
C24H25N3O7
Average molar mass
467.5 g/mol

Names & identifiers

Preferred name
ethyl 3-[(4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-3-methoxybenzyl)oxy]-1-methyl-1H-pyrazole-4-carboxylate
IUPAC
ethyl 3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-methylpyrazole-4-carboxylate

Names & synonyms

SCHEMBL4852958AQHUBSGRFDCILI-UHFFFAOYSA-Nethyl 3-[(4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-3-methoxybenzyl)oxy]-1-methyl-1H-pyrazole-4-carboxylate

Database identifiers

PubChem CID
69217831

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
111 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
11
Heavy atoms
34
Formal charge
0
Complexity
656

Related reactions

4 records
New reaction record
HRID 174312 reaction equation
HRID 174312As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 690224 reaction equation
HRID 690224As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2221868 reaction equation
HRID 2221868As productuspto-grants-2008_05
HRID 2221871 reaction equation
HRID 2221871As reactantuspto-grants-2008_05

Compound notes

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