3-(2-chloro-5-nitrophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

HCID 14280656

Basic information

Standard SMILES
CC(C)(C)c1nn(-c2cc([N+](=O)[O-])ccc2Cl)c(=O)o1
InChIKey
RZLRGAUTTJNFRC-UHFFFAOYSA-N
Molecular formula
C12H12ClN3O4
Average molar mass
297.69 g/mol
Monoisotopic mass
297.0516336

Names & identifiers

Preferred name
3-(2-chloro-5-nitrophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
IUPAC
5-tert-butyl-3-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazol-2-one

Names & synonyms

SCHEMBL9382271RZLRGAUTTJNFRC-UHFFFAOYSA-N3-(2-chloro-5-nitrophenyl)-5-(1,1-dimethylethyl) -1,3,4-oxadiazol-2(3H)-one3-(2-chloro-5-nitrophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

Database identifiers

PubChem CID
14280656

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
87.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
20

Related reactions

5 records

Compound notes

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