chempirical

Oseltamivir

C16H28N2O4CAS 196618-13-0312.41 g/mol

Open in Covalent MOL file
OOONHONH2
AlkeneEsterEtherPrimary amine

Properties

Molecular formula
C16H28N2O4
Molar mass
312.41 g/mol
Exact mass
312.2049 Da
Melting point
107–108 °C
logP
2.13Crippen estimate
Polar surface area
94.1 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
196618-13-0
SMILES
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](N=C(C)O)[C@@H](N)C1
InChIKey
VSZGPKBBMSAYNT-RRFJBIMHSA-N
InChI
InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-
  • 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, [3R-(3α,4β,5α)]-
  • GS 4104
  • Tamvir
  • Tamiflu-free
  • GOP-A-Flu
  • (-)-Oseltamivir
  • Enfluvir
  • Ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
  • ZINC 039295508
  • Ebilfumin

Work with Oseltamivir

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Oseltamivir phosphate204255-11-888 % similar Ro 64-0802187227-45-874 % similar Ethyl (1S,5R,6S)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate204254-96-654 % similar Diethyl acetamidomalonate1068-90-238 % similar Ethyl 2-(acetylamino)-2-cyanoacetate4977-62-234 % similar N-Acetyl-L-tyrosine ethyl ester840-97-132 % similar 2-(Acetylamino)butanoic acid7211-57-632 % similar Ethyl acetamidoacetate1906-82-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook