Basic information
- Standard SMILES
CCOC(=O)c1nc(-c2cccc3[nH]ncc23)oc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1- InChIKey
CJRGIPVGMBHLDA-UHFFFAOYSA-N- Molecular formula
- C28H31N5O5
- Average molar mass
- 517.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-(4-(4-(ethoxycarbonyl)-2-(1H-indazol-4-yl)oxazol-5-yl)phenyl)piperazine-1-carboxylate
- IUPAC
- ethyl 2-(1H-indazol-4-yl)-5-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxylate
Names & synonyms
SCHEMBL3121116CJRGIPVGMBHLDA-UHFFFAOYSA-Ntert-butyl 4-(4-(4-(ethoxycarbonyl)-2-(1H-indazol-4-yl)oxazol-5-yl)phenyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 59587447
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 821
Related reactions
4 records
Compound notes
Loading…