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Home> Encyclopedia > Hot Product Listed I   > Isoxazole, 5-methyl-3-(5-oxazolyl)-
850646-74-1 structure

Isoxazole, 5-methyl-3-(5-oxazolyl)-

Iupac Name:5-methyl-3-(1,3-oxazol-5-yl)-1,2-oxazole
CAS No.:850646-74-1
Molecular Weight:150.137
Molecular Formula:C7H6N2O2 (isomer)
Names and Identifiers
Synonyms

5-methyl-3-(1,3-oxazol-5-yl)-1,2-oxazole 5-methyl-3-(oxazol-5-yl)isoxazole 5-methyl-3-oxazol-5-yl-isoxazole 850646-74-1 AK464077 AKOS027417535 HE396827 isoxazole, 5-methyl-3-(5-oxazolyl)- isoxazole,5-methyl-3-(5-oxazolyl)- SCHEMBL3881663 SVKAZAWTQZTUNE-UHFFFAOYSA-N

Inchi
InChI=1S/C7H6N2O2/c1-5-2-6(9-11-5)7-3-8-4-10-7/h2-4H,1H3
InChkey
SVKAZAWTQZTUNE-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=NO1)C2=CN=CO2
Isomers Smiles
CC1=CC(=NO1)C2=CN=CO2
Computational chemical data
  • Molecular Weight:150.137g/mol
  • Molecular Formula:C7H6N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:150.043
  • Monoisotopic Mass:150.043
  • Complexity:142
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.1A^2
  • Heavy Atom Count:11
  • 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: AAADcYBjMAAAAAAAAAAAAAAAAAAAAWLAAAAAAAAAAAAAAAAB4AAAHgAEAAAACAzBlgY+hJIYFECp AbR31gSCiCA/YiAg2CG/bNoOJrrA9buNMYBmxhlY6cfbEQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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