3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one

C13H15F2N3O5 — CID 167706391

IUPAC3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC=C1N=C(N2CCOC2=O)C=CN1[C@@H]1O[C@H](CO)[C@H](O)C1(F)F
InChIInChI=1S/C13H15F2N3O5/c1-7-16-9(18-4-5-22-12(18)21)2-3-17(7)11-13(14,15)10(20)8(6-19)23-11/h2-3,8,10-11,19-20H,1,4-6H2/t8-,10+,11-/m1/s1
InChIKeyZDVHOUQCEURHIB-DVVUODLYSA-N
MW331.28 g/mol
LogP-0.15
Rot. Bonds2

About 3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 167706391) has the molecular formula C13H15F2N3O5 and a molecular weight of 331.28 g/mol. Its IUPAC name is 3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID167706391
Molecular FormulaC13H15F2N3O5
Molecular Weight331.28 g/mol
Exact Mass331.10
IUPAC Name3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC=C1N=C(N2CCOC2=O)C=CN1[C@@H]1O[C@H](CO)[C@H](O)C1(F)F
InChIInChI=1S/C13H15F2N3O5/c1-7-16-9(18-4-5-22-12(18)21)2-3-17(7)11-13(14,15)10(20)8(6-19)23-11/h2-3,8,10-11,19-20H,1,4-6H2/t8-,10+,11-/m1/s1
InChIKeyZDVHOUQCEURHIB-DVVUODLYSA-N
XLogP-0.15
TPSA94.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(2R,4R,5R)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 161273709
(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 174069397
3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
CID 162572960
19-[[(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-19-oxononadecanoate
CID 159881033
6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one
CID 152781328
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](213C,1,3-15N2)pyrimidin-2-one
CID 129010189
4-amino-1-[(2R,4R,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 6093357
4-amino-1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 11054511
[4-[[(2S)-1-[(2R)-2-(pyridine-4-carbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]carbamate
CID 129088494
2'-Deoxy-2',2'-difluorouridine-13C,15N2
CID 71434085
1-[(2R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 162572157
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 117072635

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 167706391) is 3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one is C=C1N=C(N2CCOC2=O)C=CN1[C@@H]1O[C@H](CO)[C@H](O)C1(F)F.
What is the InChIKey of 3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZDVHOUQCEURHIB-DVVUODLYSA-N. The full InChI is InChI=1S/C13H15F2N3O5/c1-7-16-9(18-4-5-22-12(18)21)2-3-17(7)11-13(14,15)10(20)8(6-19)23-11/h2-3,8,10-11,19-20H,1,4-6H2/t8-,10+,11-/m1/s1.
What are the key properties of 3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 331.28 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167706391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).