(5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one

C10H7BrF2INO2 — CID 118050988

IUPAC(5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CI)CN1c1c(F)cc(Br)cc1F
InChIInChI=1S/C10H7BrF2INO2/c11-5-1-7(12)9(8(13)2-5)15-4-6(3-14)17-10(15)16/h1-2,6H,3-4H2/t6-/m0/s1
InChIKeyQLCALKYSAPVJMU-LURJTMIESA-N
MW417.98 g/mol
LogP3.49
Rot. Bonds2

About (5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one

(5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one (PubChem CID 118050988) has the molecular formula C10H7BrF2INO2 and a molecular weight of 417.98 g/mol. Its IUPAC name is (5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one
PubChem CID118050988
Molecular FormulaC10H7BrF2INO2
Molecular Weight417.98 g/mol
Exact Mass416.87
IUPAC Name(5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CI)CN1c1c(F)cc(Br)cc1F
InChIInChI=1S/C10H7BrF2INO2/c11-5-1-7(12)9(8(13)2-5)15-4-6(3-14)17-10(15)16/h1-2,6H,3-4H2/t6-/m0/s1
InChIKeyQLCALKYSAPVJMU-LURJTMIESA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-[(5S)-3-(4-bromo-2,6-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118051064
3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one
CID 10432033
5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one
CID 82023144
5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 175360935
1-(4-bromo-2,6-difluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709708
(5S)-3-[3,5-difluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10267740
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
(5R)-3-[3,5-difluoro-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 126483695
4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione
CID 65499867
(5R)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 126495772
S-[1-(4-bromo-2,6-difluorophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706382
(5R)-5-(aminomethyl)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
CID 68878196

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one (CID 118050988) is (5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](CI)CN1c1c(F)cc(Br)cc1F.
What is the InChIKey of (5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one?
The InChIKey is QLCALKYSAPVJMU-LURJTMIESA-N. The full InChI is InChI=1S/C10H7BrF2INO2/c11-5-1-7(12)9(8(13)2-5)15-4-6(3-14)17-10(15)16/h1-2,6H,3-4H2/t6-/m0/s1.
What are the key properties of (5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one?
(5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one has a molecular weight of 417.98 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-bromo-2,6-difluorophenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 118050988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).