Undecyltyrazolone
AlkaPlorer ID: AK055228
Synonym: None
IUPAC Name: 2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one
Structure
SMILES: CCCCCCCCCCC1=NC(=CC2=CC=C(O)C=C2)C(=O)O1
InChI: InChI=1S/C20H27NO3/c1-2-3-4-5-6-7-8-9-10-19-21-18(20(23)24-19)15-16-11-13-17(22)14-12-16/h11-15,22H,2-10H2,1H3
InChIKey: JEAKQFBLRLFHPL-UHFFFAOYSA-N
Reference
Co-occurrence of enzyme domains guides the discovery of an oxazolone synthetase
PubChem CID: 163139294
COCONUT: CNP0451158
{NPAtlas: NPA033516
Source
Properties Information
Molecule Weight: 329.44000000000005
TPSA？: 58.89
MolLogP？: 5.219200000000006
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
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