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Home> Hot Product Listed 2   > 2-Phenyl-N,N,N',N'-tetraethyloxazole-4,5-dicarboxamide
37636-42-3 structure

2-Phenyl-N,N,N',N'-tetraethyloxazole-4,5-dicarboxamide

Iupac Name:2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CAS No.:37636-42-3
Molecular Weight:198.24
Molecular Formula:C7H11N3O (isomer)
Names and Identifiers
Synonyms

4-n,4-n,5-n,5-n-tetraethyl-2-phenyl-1,3-oxazole-4,5-dicarboxamide brn 1028445 DTXSID10195254 HE342818 LS-100112 oxazole-4,5-dicarboxamide, 2-phenyl-n,n,n',n'-tetraethyl- oxazole-4,5-dicarboxamide,2-phenyl-n,n,n',n'-tetraethyl-

Inchi
InChI=1S/C8H10N2O2S/c9-7-6(8(11)12)4-1-2-10-3-5(4)13-7/h10H,1-3,9H2,(H,11,12)
InChkey
KMCUIAXPPVWBTF-UHFFFAOYSA-N
Canonical Smiles
C1CNCC2=C1C(=C(S2)N)C(=O)O
Computational chemical data
  • Molecular Weight:198.24g/mol
  • Molecular Formula:C7H11N3O
  • Compound Is Canonicalized:True
  • Exact Mass:198.046
  • Monoisotopic Mass:198.046
  • Complexity:224
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:104A^2
  • Heavy Atom Count:13
  • 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: AAADccBzMABAAAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAFgBgAAAHgQQCAAADADB2AQAiYLAAgiM AgDQSACDAIBkCBEAiJEITMgIJjqglJGEUYhm0AGo2UaYEQIOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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