3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C10H8F2INO3 — CID 71030094

IUPAC3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc(I)c(F)c1F
InChIInChI=1S/C10H8F2INO3/c11-8-6(13)1-2-7(9(8)12)14-3-5(4-15)17-10(14)16/h1-2,5,15H,3-4H2
InChIKeyUCDPNYCDZLQINL-UHFFFAOYSA-N
MW355.08 g/mol
LogP1.89
Rot. Bonds2

About 3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 71030094) has the molecular formula C10H8F2INO3 and a molecular weight of 355.08 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID71030094
Molecular FormulaC10H8F2INO3
Molecular Weight355.08 g/mol
Exact Mass354.95
IUPAC Name3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc(I)c(F)c1F
InChIInChI=1S/C10H8F2INO3/c11-8-6(13)1-2-7(9(8)12)14-3-5(4-15)17-10(14)16/h1-2,5,15H,3-4H2
InChIKeyUCDPNYCDZLQINL-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.08
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 76610876
5-(hydroxymethyl)-3-(2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 19773689
(5R)-3-[2,3-difluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 56928300
3-[4-(2,5-dihydropyrrol-1-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 123927196
3-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68698798
3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 54334011
(5R)-5-(hydroxymethyl)-3-pyridin-4-yl-1,3-oxazolidin-2-one
CID 115056906
[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]boronic acid;methane
CID 145042333
3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 76556203
(5R)-3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10566736
(5R)-3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 101167179
3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 22943616

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 71030094) is 3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1OC(CO)CN1c1ccc(I)c(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is UCDPNYCDZLQINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2INO3/c11-8-6(13)1-2-7(9(8)12)14-3-5(4-15)17-10(14)16/h1-2,5,15H,3-4H2.
What are the key properties of 3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 355.08 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 71030094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).