3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one

C13H10F2N4O2 — CID 172591924

IUPAC3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc(-c2nc(NF)ncc2F)c1
InChIInChI=1S/C13H10F2N4O2/c14-10-7-16-12(18-15)17-11(10)8-2-1-3-9(6-8)19-4-5-21-13(19)20/h1-3,6-7H,4-5H2,(H,16,17,18)
InChIKeyFIFPTHOIACXQDM-UHFFFAOYSA-N
MW292.25 g/mol
LogP2.54
Rot. Bonds3

About 3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one

3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 172591924) has the molecular formula C13H10F2N4O2 and a molecular weight of 292.25 g/mol. Its IUPAC name is 3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one
PubChem CID172591924
Molecular FormulaC13H10F2N4O2
Molecular Weight292.25 g/mol
Exact Mass292.08
IUPAC Name3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc(-c2nc(NF)ncc2F)c1
InChIInChI=1S/C13H10F2N4O2/c14-10-7-16-12(18-15)17-11(10)8-2-1-3-9(6-8)19-4-5-21-13(19)20/h1-3,6-7H,4-5H2,(H,16,17,18)
InChIKeyFIFPTHOIACXQDM-UHFFFAOYSA-N
XLogP2.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

4-[[5-fluoro-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 172592733
N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 172590955
tert-butyl 4-[[5-fluoro-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 172591367
cis-tert-butyl (1R,3S)-3-[[5-fluoro-4-[3-(2-oxo-1,3-oxazinan-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylate
CID 172591380
cis-(1R,3S)-3-[[5-fluoro-4-[3-(3-oxomorpholin-4-yl)phenyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 172591784
1-[3-[2-[(1-acetylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]phenyl]pyrrolidin-2-one
CID 172592391
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
4-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperazin-1-yl]-N-[4-[[5-fluoro-4-[3-(2-oxo-1,3-oxazinan-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide
CID 172592217
methyl 4-[[5-fluoro-4-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylate
CID 172591406
[4-[[5-fluoro-4-[3-(3-oxomorpholin-4-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl] (4-nitrophenyl) carbonate
CID 172591870
2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde
CID 57444342
3-[3-fluoro-4-[4-[[4-[4-[[5-fluoro-4-[3-(2-oxo-1,3-oxazinan-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexanecarbonyl]piperazin-1-yl]methyl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 172590401

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one (CID 172591924) is 3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1cccc(-c2nc(NF)ncc2F)c1.
What is the InChIKey of 3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is FIFPTHOIACXQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O2/c14-10-7-16-12(18-15)17-11(10)8-2-1-3-9(6-8)19-4-5-21-13(19)20/h1-3,6-7H,4-5H2,(H,16,17,18).
What are the key properties of 3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one?
3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 292.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-fluoro-2-(fluoroamino)pyrimidin-4-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 172591924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).