CHEBI:83837 - {2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(imidazol-1-yl)methanone

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ChEBI Name {2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(imidazol-1-yl)methanone
ChEBI ID CHEBI:83837
Definition A member of the class of oxazolidines that is 2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidine in which the amino hydrogen is replaced by an (imidazol-1-yl)carbonyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H24ClN3O2
Net Charge 0
Average Mass 361.86600
Monoisotopic Mass 361.15570
InChI InChI=1S/C19H24ClN3O2/c1-18(2)13-25-19(3,23(18)17(24)22-12-11-21-14-22)10-4-5-15-6-8-16(20)9-7-15/h6-9,11-12,14H,4-5,10,13H2,1-3H3
InChIKey FJBGIXKIXPUXBY-UHFFFAOYSA-N
SMILES CC1(C)COC(C)(CCCc2ccc(Cl)cc2)N1C(=O)n1ccnc1
ChEBI Ontology
Outgoing {2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(imidazol-1-yl)methanone (CHEBI:83837) is a N-acylimidazole (CHEBI:38308)
{2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(imidazol-1-yl)methanone (CHEBI:83837) is a monochlorobenzenes (CHEBI:83403)
{2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(imidazol-1-yl)methanone (CHEBI:83837) is a oxazolidines (CHEBI:38329)
Incoming (R)-oxpoconazole (CHEBI:83840) is a {2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(imidazol-1-yl)methanone (CHEBI:83837)
(S)-oxpoconazole (CHEBI:83839) is a {2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(imidazol-1-yl)methanone (CHEBI:83837)
IUPAC Name
{2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(1H-imidazol-1-yl)methanone
Last Modified
21 November 2014