3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one

C15H11F2IN2O2 — CID 10432033

IUPAC3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CI)CN1c1cc(F)c(-c2ccncc2)c(F)c1
InChIInChI=1S/C15H11F2IN2O2/c16-12-5-10(20-8-11(7-18)22-15(20)21)6-13(17)14(12)9-1-3-19-4-2-9/h1-6,11H,7-8H2
InChIKeyWBKGSESTAKGYID-UHFFFAOYSA-N
MW416.17 g/mol
LogP3.79
Rot. Bonds3

About 3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one

3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one (PubChem CID 10432033) has the molecular formula C15H11F2IN2O2 and a molecular weight of 416.17 g/mol. Its IUPAC name is 3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one
PubChem CID10432033
Molecular FormulaC15H11F2IN2O2
Molecular Weight416.17 g/mol
Exact Mass415.98
IUPAC Name3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CI)CN1c1cc(F)c(-c2ccncc2)c(F)c1
InChIInChI=1S/C15H11F2IN2O2/c16-12-5-10(20-8-11(7-18)22-15(20)21)6-13(17)14(12)9-1-3-19-4-2-9/h1-6,11H,7-8H2
InChIKeyWBKGSESTAKGYID-UHFFFAOYSA-N
XLogP3.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.17
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
(5R)-5-(hydroxymethyl)-3-pyridin-4-yl-1,3-oxazolidin-2-one
CID 115056906
(5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one
CID 118050988
5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 175360935
(5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
CID 56928930
5-(chloromethyl)-3-(3,5-dichlorophenyl)-1,3-oxazolidin-2-one
CID 107654588
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
(5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 99855665
5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82391857
N-[[3-(3-chloro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 19418145
5-(aminomethyl)-3-[4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 22087045

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one (CID 10432033) is 3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one is O=C1OC(CI)CN1c1cc(F)c(-c2ccncc2)c(F)c1.
What is the InChIKey of 3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one?
The InChIKey is WBKGSESTAKGYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2IN2O2/c16-12-5-10(20-8-11(7-18)22-15(20)21)6-13(17)14(12)9-1-3-19-4-2-9/h1-6,11H,7-8H2.
What are the key properties of 3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one?
3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one has a molecular weight of 416.17 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10432033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).