Basic information
- Standard SMILES
CC(C)(C)c1nn(-c2cc(N)ccc2Cl)c(=O)o1- InChIKey
CPLFYBQIQRWBKN-UHFFFAOYSA-N- Molecular formula
- C12H14ClN3O2
- Average molar mass
- 267.71 g/mol
Names & identifiers
- Preferred name
- 3-(5-Amino-2-chlorophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
- IUPAC
- 3-(5-amino-2-chlorophenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one
Names & synonyms
SCHEMBL9378668CPLFYBQIQRWBKN-UHFFFAOYSA-N3-(5-amino-2-chlorophenyl) -5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one3-(5-Amino-2-chlorophenyl)-5-(1,1-dimethyl-ethyl) -1,3,4-oxadiazol-2(3H)-one3-(5-Amino-2-chlorophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
Database identifiers
- PubChem CID
- 14280657
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
Related reactions
5 records
Compound notes
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