Basic information
- Standard SMILES
CC1(C)COC(c2ccc(C(O)(c3ccccc3)c3cccc(OCCCNC(=O)OC(C)(C)C)c3)cc2)=N1- InChIKey
ZVNLFBVSISEVIP-UHFFFAOYSA-N- Molecular formula
- C32H38N2O5
- Average molar mass
- 530.7 g/mol
Names & identifiers
- Preferred name
- [3-(3-{[4-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-hydroxy-phenyl-methyl}-phenoxy)-propyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[3-[3-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-hydroxy-phenylmethyl]phenoxy]propyl]carbamate
Names & synonyms
SCHEMBL3509580ZVNLFBVSISEVIP-UHFFFAOYSA-N[3-(3-{[4-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-hydroxy-phenyl-methyl}-phenoxy)-propyl]-carbamic acid tert-butyl ester[3-(3{[4-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-hydroxy-phenyl-methyl}-phenoxy)-propyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68670565
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 823
Related reactions
2 records
Compound notes
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