Basic information
- Standard SMILES
C=CCc1c(C)noc1-c1ccc(-c2ccc(C3(C(=O)OCC)CC3)cc2)cc1- InChIKey
OKNRTUXFQDAZPN-UHFFFAOYSA-N- Molecular formula
- C25H25NO3
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.18344366
Names & identifiers
- Preferred name
- 1-[4'-(4-Allyl-3-methyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester
- IUPAC
- ethyl 1-[4-[4-(3-methyl-4-prop-2-enyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL1337OKNRTUXFQDAZPN-UHFFFAOYSA-N1-[4'-(4-Allyl-3-methyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 66577240
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 571
Related reactions
6 records
Compound notes
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