[(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate

C15H18FN5O5 — CID 134597188

IUPAC[(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate
SMILESCC[C@@]1(OC)O[C@@H](n2ccc(-n3cncn3)nc2=O)[C@H](OC(C)=O)[C@@H]1F
InChIInChI=1S/C15H18FN5O5/c1-4-15(24-3)12(16)11(25-9(2)22)13(26-15)20-6-5-10(19-14(20)23)21-8-17-7-18-21/h5-8,11-13H,4H2,1-3H3/t11-,12+,13-,15-/m1/s1
InChIKeyNFIORGNFYYDWSH-QVHKTLOISA-N
MW367.34 g/mol
LogP0.38
Rot. Bonds5

About [(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate

[(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate (PubChem CID 134597188) has the molecular formula C15H18FN5O5 and a molecular weight of 367.34 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate
PubChem CID134597188
Molecular FormulaC15H18FN5O5
Molecular Weight367.34 g/mol
Exact Mass367.13
IUPAC Name[(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate
SMILESCC[C@@]1(OC)O[C@@H](n2ccc(-n3cncn3)nc2=O)[C@H](OC(C)=O)[C@@H]1F
InChIInChI=1S/C15H18FN5O5/c1-4-15(24-3)12(16)11(25-9(2)22)13(26-15)20-6-5-10(19-14(20)23)21-8-17-7-18-21/h5-8,11-13H,4H2,1-3H3/t11-,12+,13-,15-/m1/s1
InChIKeyNFIORGNFYYDWSH-QVHKTLOISA-N
XLogP0.38
TPSA110.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate?
The IUPAC name of [(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate (CID 134597188) is [(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate?
The canonical SMILES for [(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate is CC[C@@]1(OC)O[C@@H](n2ccc(-n3cncn3)nc2=O)[C@H](OC(C)=O)[C@@H]1F.
What is the InChIKey of [(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate?
The InChIKey is NFIORGNFYYDWSH-QVHKTLOISA-N. The full InChI is InChI=1S/C15H18FN5O5/c1-4-15(24-3)12(16)11(25-9(2)22)13(26-15)20-6-5-10(19-14(20)23)21-8-17-7-18-21/h5-8,11-13H,4H2,1-3H3/t11-,12+,13-,15-/m1/s1.
What are the key properties of [(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate?
[(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate has a molecular weight of 367.34 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-5-ethyl-4-fluoro-5-methoxy-2-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-3-yl] acetate is sourced from PubChem (CID 134597188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).