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Home> Hot Product Listed T   > T6751648
159693-09-1 structure

T6751648

Iupac Name:methyl 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CAS No.:159693-09-1
Molecular Weight:235.214
Molecular Formula:C22H19N5O3 (isomer)
Names and Identifiers
Synonyms

MCULE-8465013190 MOLPORT-009-174-162 n-cyclooctyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide Z316424348 ZINC58161039

Inchi
InChI=1S/C12H10FNO3/c1-7-10(12(15)16-2)11(14-17-7)8-3-5-9(13)6-4-8/h3-6H,1-2H3
InChkey
JTXOFNWDTGMOHG-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C(=NO1)C2=CC=C(C=C2)F)C(=O)OC
Computational chemical data
  • Molecular Weight:235.214g/mol
  • Molecular Formula:C22H19N5O3
  • Compound Is Canonicalized:True
  • Exact Mass:235.064
  • Monoisotopic Mass:235.064
  • Complexity:279
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:52.3A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMQAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHwAEAAAADAyBngoyjJAQBACp A6TySgCCAAAkIAAomCEkTNoIJ76IsZuAMcBnoBgI6UeYyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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