Heptyltyrazolone
AlkaPlorer ID: AK056962
Synonym: None
IUPAC Name: 2-heptyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one
Structure
SMILES: CCCCCCCC1=NC(=CC2=CC=C(O)C=C2)C(=O)O1
InChI: InChI=1S/C17H21NO3/c1-2-3-4-5-6-7-16-18-15(17(20)21-16)12-13-8-10-14(19)11-9-13/h8-12,19H,2-7H2,1H3
InChIKey: YFJGKMTXYRZHKG-UHFFFAOYSA-N
Reference
Co-occurrence of enzyme domains guides the discovery of an oxazolone synthetase
PubChem CID: 163178534
COCONUT: CNP0475680
{NPAtlas: NPA033514
Source
Properties Information
Molecule Weight: 287.35900000000004
TPSA？: 58.89
MolLogP？: 4.048900000000003
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
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