[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate

C12H11FINO4 — CID 139974744

IUPAC[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CN(c2ccc(I)c(F)c2)C(=O)O1
InChIInChI=1S/C12H11FINO4/c1-7(16)18-6-9-5-15(12(17)19-9)8-2-3-11(14)10(13)4-8/h2-4,9H,5-6H2,1H3/t9-/m0/s1
InChIKeyTWUKYWKTFHLMFL-VIFPVBQESA-N
MW379.13 g/mol
LogP2.32
Rot. Bonds3

About [(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate

[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate (PubChem CID 139974744) has the molecular formula C12H11FINO4 and a molecular weight of 379.13 g/mol. Its IUPAC name is [(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate.

Molecular Properties

Compound Name[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
PubChem CID139974744
Molecular FormulaC12H11FINO4
Molecular Weight379.13 g/mol
Exact Mass378.97
IUPAC Name[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CN(c2ccc(I)c(F)c2)C(=O)O1
InChIInChI=1S/C12H11FINO4/c1-7(16)18-6-9-5-15(12(17)19-9)8-2-3-11(14)10(13)4-8/h2-4,9H,5-6H2,1H3/t9-/m0/s1
InChIKeyTWUKYWKTFHLMFL-VIFPVBQESA-N
XLogP2.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.13
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 141380839
(5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one
CID 139995287
methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 58610310
(5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 11859040
2,2-difluoro-N-[[3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66884287
2,2-difluoro-N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59488886
[(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
CID 59749419
5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate
CID 121351579
[(5R)-3-[3,5-difluoro-4-(1,2,3,6-tetrahydropyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
CID 23546148
(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
[(5R)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 154776170
(5S)-5-(aminomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 158402090

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate?
The IUPAC name of [(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate (CID 139974744) is [(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate.
What is the SMILES notation for [(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate?
The canonical SMILES for [(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate is CC(=O)OC[C@@H]1CN(c2ccc(I)c(F)c2)C(=O)O1.
What is the InChIKey of [(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate?
The InChIKey is TWUKYWKTFHLMFL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H11FINO4/c1-7(16)18-6-9-5-15(12(17)19-9)8-2-3-11(14)10(13)4-8/h2-4,9H,5-6H2,1H3/t9-/m0/s1.
What are the key properties of [(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate?
[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate has a molecular weight of 379.13 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate is sourced from PubChem (CID 139974744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).