Basic information
- Standard SMILES
COC(=O)c1cccc2oc(N3CCN(C(=O)OC(C)(C)C)CC3C(C)(C)C)nc12- InChIKey
ZPXJYORABBUOHR-UHFFFAOYSA-N- Molecular formula
- C22H31N3O5
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.2263711
Names & identifiers
- Preferred name
- Methyl 2-[2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-benzoxazole-4-carboxylate
- IUPAC
- methyl 2-[2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-benzoxazole-4-carboxylate
Names & synonyms
SCHEMBL1004552
Database identifiers
- PubChem CID
- 66873649
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 642
Related reactions
1 records
Compound notes
Loading…