(4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one

C9H8BrNO3 — CID 131100701

IUPAC(4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2ccc(O)c(Br)c2)CO1
InChIInChI=1S/C9H8BrNO3/c10-6-3-5(1-2-8(6)12)7-4-14-9(13)11-7/h1-3,7,12H,4H2,(H,11,13)/t7-/m1/s1
InChIKeyFHFRGVWPDVKGMY-SSDOTTSWSA-N
MW258.07 g/mol
LogP1.94
Rot. Bonds1

About (4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one

(4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 131100701) has the molecular formula C9H8BrNO3 and a molecular weight of 258.07 g/mol. Its IUPAC name is (4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one
PubChem CID131100701
Molecular FormulaC9H8BrNO3
Molecular Weight258.07 g/mol
Exact Mass256.97
IUPAC Name(4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2ccc(O)c(Br)c2)CO1
InChIInChI=1S/C9H8BrNO3/c10-6-3-5(1-2-8(6)12)7-4-14-9(13)11-7/h1-3,7,12H,4H2,(H,11,13)/t7-/m1/s1
InChIKeyFHFRGVWPDVKGMY-SSDOTTSWSA-N
XLogP1.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one (CID 131100701) is (4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one is O=C1N[C@@H](c2ccc(O)c(Br)c2)CO1.
What is the InChIKey of (4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is FHFRGVWPDVKGMY-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H8BrNO3/c10-6-3-5(1-2-8(6)12)7-4-14-9(13)11-7/h1-3,7,12H,4H2,(H,11,13)/t7-/m1/s1.
What are the key properties of (4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one?
(4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 258.07 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 131100701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).