[1-(4'-{4-[Hydroxy-(5-phenyl-[1,3,4]oxadiazol-2-yl)-methyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropyl]-acetic acid ethyl ester
Basic information
- Standard SMILES
CCOC(=O)CC1(c2ccc(-c3ccc(-c4onc(C)c4C(O)c4nnc(-c5ccccc5)o4)cc3)cc2)CC1- InChIKey
CJCSJGJUAAVQDR-UHFFFAOYSA-N- Molecular formula
- C32H29N3O5
- Average molar mass
- 535.6 g/mol
- Monoisotopic mass
- 535.21072103
Names & identifiers
- Preferred name
- [1-(4'-{4-[Hydroxy-(5-phenyl-[1,3,4]oxadiazol-2-yl)-methyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropyl]-acetic acid ethyl ester
- IUPAC
- ethyl 2-[1-[4-[4-[4-[hydroxy-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropyl]acetate
Names & synonyms
SCHEMBL12139CJCSJGJUAAVQDR-UHFFFAOYSA-N[1-(4'-{4-[Hydroxy-(5-phenyl-[1,3,4]oxadiazol-2-yl)-methyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropyl]-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 66580415
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 832
Related reactions
1 records
Compound notes
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