3-[6-chloro-3-(2-propenyl)-2(3H)-benzothiazolon-5-yl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

HCID 14280650

Basic information

Standard SMILES
C=CCn1c(=O)sc2cc(Cl)c(-n3nc(C(C)(C)C)oc3=O)cc21
InChIKey
MJTAIVGDZBOURJ-UHFFFAOYSA-N
Molecular formula
C16H16ClN3O3S
Average molar mass
365.8 g/mol

Names & identifiers

Preferred name
3-[6-chloro-3-(2-propenyl)-2(3H)-benzothiazolon-5-yl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
IUPAC
5-tert-butyl-3-(6-chloro-2-oxo-3-prop-2-enyl-1,3-benzothiazol-5-yl)-1,3,4-oxadiazol-2-one

Names & synonyms

SCHEMBL9378035MJTAIVGDZBOURJ-UHFFFAOYSA-N3-[6-chloro-3-(2-propenyl)-2(3H)-benzothiazolon-5-yl] -5-(1,1-dimethylethyl)-1,3,4-oxadiazol -2(3H)-one3-[6-chloro-3-(2-propenyl)-2(3H)-benzothiazolon-5-yl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

Database identifiers

PubChem CID
14280650

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
87.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
24

Related reactions

3 records

Compound notes

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