3-(5-Amino-2-chlorophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

HCID 14280657

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

Related reactions

5 records

Compound notes

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