(5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one

C13H12Br2N2O5 — CID 162996076

IUPAC(5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC[C@H](COc2c(Br)cc([C@H]3CNC(=O)O3)cc2Br)O1
InChIInChI=1S/C13H12Br2N2O5/c14-8-1-6(10-4-17-13(19)22-10)2-9(15)11(8)20-5-7-3-16-12(18)21-7/h1-2,7,10H,3-5H2,(H,16,18)(H,17,19)/t7-,10-/m1/s1
InChIKeyZAXCQPPMIUFZFV-GMSGAONNSA-N
MW436.06 g/mol
LogP2.48
Rot. Bonds4

About (5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one

(5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 162996076) has the molecular formula C13H12Br2N2O5 and a molecular weight of 436.06 g/mol. Its IUPAC name is (5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID162996076
Molecular FormulaC13H12Br2N2O5
Molecular Weight436.06 g/mol
Exact Mass433.91
IUPAC Name(5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC[C@H](COc2c(Br)cc([C@H]3CNC(=O)O3)cc2Br)O1
InChIInChI=1S/C13H12Br2N2O5/c14-8-1-6(10-4-17-13(19)22-10)2-9(15)11(8)20-5-7-3-16-12(18)21-7/h1-2,7,10H,3-5H2,(H,16,18)(H,17,19)/t7-,10-/m1/s1
InChIKeyZAXCQPPMIUFZFV-GMSGAONNSA-N
XLogP2.48
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.06
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one (CID 162996076) is (5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one is O=C1NC[C@H](COc2c(Br)cc([C@H]3CNC(=O)O3)cc2Br)O1.
What is the InChIKey of (5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is ZAXCQPPMIUFZFV-GMSGAONNSA-N. The full InChI is InChI=1S/C13H12Br2N2O5/c14-8-1-6(10-4-17-13(19)22-10)2-9(15)11(8)20-5-7-3-16-12(18)21-7/h1-2,7,10H,3-5H2,(H,16,18)(H,17,19)/t7-,10-/m1/s1.
What are the key properties of (5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one?
(5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 436.06 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[2,6-dibromo-4-[(5S)-2-oxo-1,3-oxazolidin-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162996076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).