[(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate

C10H10FINO6P — CID 141380839

IUPAC[(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
SMILESO=C1O[C@@H](COP(=O)(O)O)CN1c1ccc(I)c(F)c1
InChIInChI=1S/C10H10FINO6P/c11-8-3-6(1-2-9(8)12)13-4-7(19-10(13)14)5-18-20(15,16)17/h1-3,7H,4-5H2,(H2,15,16,17)/t7-/m1/s1
InChIKeyORRBGDVWXDAQNJ-SSDOTTSWSA-N
MW417.07 g/mol
LogP1.86
Rot. Bonds4

About [(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate

[(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate (PubChem CID 141380839) has the molecular formula C10H10FINO6P and a molecular weight of 417.07 g/mol. Its IUPAC name is [(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
PubChem CID141380839
Molecular FormulaC10H10FINO6P
Molecular Weight417.07 g/mol
Exact Mass416.93
IUPAC Name[(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
SMILESO=C1O[C@@H](COP(=O)(O)O)CN1c1ccc(I)c(F)c1
InChIInChI=1S/C10H10FINO6P/c11-8-3-6(1-2-9(8)12)13-4-7(19-10(13)14)5-18-20(15,16)17/h1-3,7H,4-5H2,(H2,15,16,17)/t7-/m1/s1
InChIKeyORRBGDVWXDAQNJ-SSDOTTSWSA-N
XLogP1.86
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.07
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
CID 139974744
(5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 11859040
methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 58610310
(5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one
CID 139995287
[(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 56928410
2,2-difluoro-N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59488886
2,2-difluoro-N-[[3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66884287
[(5R)-3-[3-fluoro-4-[6-(2-methyl-1,3-dihydrotetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 118973662
[3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 67238790
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
CID 131886043
CID 131886043
[(5R)-3-[3-fluoro-4-[2-(3-methyltriazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 71541859

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?
The IUPAC name of [(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate (CID 141380839) is [(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?
The canonical SMILES for [(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate is O=C1O[C@@H](COP(=O)(O)O)CN1c1ccc(I)c(F)c1.
What is the InChIKey of [(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?
The InChIKey is ORRBGDVWXDAQNJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10FINO6P/c11-8-3-6(1-2-9(8)12)13-4-7(19-10(13)14)5-18-20(15,16)17/h1-3,7H,4-5H2,(H2,15,16,17)/t7-/m1/s1.
What are the key properties of [(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?
[(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate has a molecular weight of 417.07 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 141380839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).