3-[3-(1-Benzyloxycarbonylamino-3-methyl-butyl)-isoxazol-5-yl]-acrylic acid ethyl ester
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCOC(=O)C=Cc1cc(C(CC(C)C)NC(=O)OCc2ccccc2)no1- InChIKey
RUPNPSAHUHRGCE-UHFFFAOYSA-N- Molecular formula
- C21H26N2O5
- Average molar mass
- 386.4 g/mol
Names & identifiers
- Preferred name
- 3-[3-(1-Benzyloxycarbonylamino-3-methyl-butyl)-isoxazol-5-yl]-acrylic acid ethyl ester
- IUPAC
- ethyl 3-[3-[3-methyl-1-(phenylmethoxycarbonylamino)butyl]-1,2-oxazol-5-yl]prop-2-enoate
Names & synonyms
SCHEMBL6178836RUPNPSAHUHRGCE-UHFFFAOYSA-N3-[3-(1-Benzyloxycarbonylamino-3-methyl-butyl)-isoxazol-5-yl]-acrylic acid ethyl ester
Database identifiers
- PubChem CID
- 69693286
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 517
Related reactions
3 records
Compound notes
Loading…