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Oseltamivir

Athanor · official

C16H28N2O4 · 312.4 g/mol

IUPAC name: ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate

Also called Tamiflu, influenza, neuraminidase inhibitor

Drugs
Open in Athanor
The structure of Oseltamivir
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate
Synonyms
Tamiflu, influenza, neuraminidase inhibitor
+ 38 more

Tamvir, (-)-oseltamivir, GS-4104, ebilfumin, oseltamivirum, GS 4104, GS4104, HSDB 7433, Ro-640796, ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate, Ro-64-0796, Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate, Ro 640796, GS-4071 ETHYL ESTER, 20O93L6F9H, 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3alpha,4beta,5alpha))-, ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate, RO64-0796, CHEBI:7798, DTXSID9044291, 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-, ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxy-cyclohexene-1-carboxylate, RefChem:6086, DTXCID7024291, J05AH02, Tamiflu-Free, (3R,4R,5S)-Ethyl 4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate, Agucort, Oseltamivir (INN), MFCD00953939, OSELTAMIVIR [INN], Oseltamivir [INN:BAN], ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylate, ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate, Agucort (TN), Tamiflu (*Phosphate salt 1:1*), UNII-20O93L6F9H, SR-05000001499

Molecular formula
C16H28N2O4
Empirical formula
C8H14NO2
Molecular weight
312.4 g/mol
Exact mass
312.20491
CAS number
196618-13-0
PubChem CID
65028
Canonical SMILES
CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC
Isomeric SMILES
CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC
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
InChIKey
VSZGPKBBMSAYNT-RRFJBIMHSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
22
Rings
1
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.75
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7 computed here · PubChem 8
TPSA (Ų)
90.6 computed here · PubChem 90.7
Formal charge
0
XLogP3
1.1 PubChem
Complexity
418 PubChem
Stereocenters
3 definedCIP: C8: R · C15: R · C20: S
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C61.51%
  • H9.03%
  • N8.97%
  • O20.48%

Isotope pattern

100%312.20519%313.2082.4%314.211315.213

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
1.29 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-2.12 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
3.76 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 312.41
  • log P ≤ 5 (Crippen): 1.29
  • H-bond donors ≤ 5: 2
  • H-bond acceptors ≤ 10: 5

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

No GHS hazard classification was found in the sources.

Storage

  • Store dry powder at 25 °C (77 °F); excursions permitted to 15 deg to 30 °C (59 deg to 86 °F).[1]
  • Store the capsules at 25 °C (77 °F); excursions permitted to 15 deg to 30 °C (59 deg to 86 °F).[1]

Safety data sheets on the supplier’s page: eNovation Chemicals, 001Chemical, Enamine.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
  2. [2]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  6. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  7. ·Literature on PubChem

Data last updated 2026-10-14.