3-[1-Benzyl-3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]pyrazol-4-yl]prop-2-enoic acid
Basic information
- Standard SMILES
COc1cc(COc2nn(Cc3ccccc3)cc2C=CC(=O)O)ccc1OCc1nc(-c2ccco2)oc1C- InChIKey
CYFFIORGNFRKNU-UHFFFAOYSA-N- Molecular formula
- C30H27N3O7
- Average molar mass
- 541.5 g/mol
- Monoisotopic mass
- 541.18490021
Names & identifiers
- Preferred name
- 3-[1-Benzyl-3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]pyrazol-4-yl]prop-2-enoic acid
- IUPAC
- 3-[1-benzyl-3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]pyrazol-4-yl]prop-2-enoic acid
Names & synonyms
SCHEMBL4850519
Database identifiers
- PubChem CID
- 69216970
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 825
Related reactions
1 records
Compound notes
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