Basic information
- Standard SMILES
Cc1oc(-c2ccco2)nc1COc1ccc(Cn2cc(CCC(=O)O)c(-c3ccccc3)c2)cc1- InChIKey
IXJWFKIWCWNSKU-UHFFFAOYSA-N- Molecular formula
- C29H26N2O5
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 482.18417193
Names & identifiers
- Preferred name
- 3-[1-[4-[2-(2-Furyl)-5-methyl-4-oxazolylmethoxy]benzyl]-4-phenyl-3-pyrrolyl]propionic acid
- IUPAC
- 3-[1-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-4-phenylpyrrol-3-yl]propanoic acid
Names & synonyms
SCHEMBL5387848IXJWFKIWCWNSKU-UHFFFAOYSA-N3-[1-[4-[2-(2-furyl)-5-methyl-4-oxazolylmethoxy]benzyl]-4-phenyl-3-pyrrolyl]propionic acid
Database identifiers
- PubChem CID
- 69424491
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 693
Related reactions
1 records
Compound notes
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