[(5R)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-5-yl]methanol

C10H11BrFNO2 — CID 151178596

IUPAC[(5R)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-5-yl]methanol
SMILESOC[C@H]1CN(c2ccc(Br)c(F)c2)CO1
InChIInChI=1S/C10H11BrFNO2/c11-9-2-1-7(3-10(9)12)13-4-8(5-14)15-6-13/h1-3,8,14H,4-6H2/t8-/m1/s1
InChIKeyNDUOCSQKYMOHNW-MRVPVSSYSA-N
MW276.11 g/mol
LogP1.74
Rot. Bonds2

About [(5R)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-5-yl]methanol

[(5R)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-5-yl]methanol (PubChem CID 151178596) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is [(5R)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[(5R)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-5-yl]methanol
PubChem CID151178596
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name[(5R)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-5-yl]methanol
SMILESOC[C@H]1CN(c2ccc(Br)c(F)c2)CO1
InChIInChI=1S/C10H11BrFNO2/c11-9-2-1-7(3-10(9)12)13-4-8(5-14)15-6-13/h1-3,8,14H,4-6H2/t8-/m1/s1
InChIKeyNDUOCSQKYMOHNW-MRVPVSSYSA-N
XLogP1.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5R)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-5-yl]methanol?
The IUPAC name of [(5R)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-5-yl]methanol (CID 151178596) is [(5R)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-5-yl]methanol.
What is the SMILES notation for [(5R)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-5-yl]methanol?
The canonical SMILES for [(5R)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-5-yl]methanol is OC[C@H]1CN(c2ccc(Br)c(F)c2)CO1.
What is the InChIKey of [(5R)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-5-yl]methanol?
The InChIKey is NDUOCSQKYMOHNW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c11-9-2-1-7(3-10(9)12)13-4-8(5-14)15-6-13/h1-3,8,14H,4-6H2/t8-/m1/s1.
What are the key properties of [(5R)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-5-yl]methanol?
[(5R)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-5-yl]methanol has a molecular weight of 276.11 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-5-yl]methanol is sourced from PubChem (CID 151178596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).