(4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride

C10H11BrClNO4 — CID 171184139

IUPAC(4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCOc1cc(Br)cc([C@H]2COC(=O)N2)c1O.Cl
InChIInChI=1S/C10H10BrNO4.ClH/c1-15-8-3-5(11)2-6(9(8)13)7-4-16-10(14)12-7;/h2-3,7,13H,4H2,1H3,(H,12,14);1H/t7-;/m1./s1
InChIKeyRSWKNDLUPRKUGG-OGFXRTJISA-N
MW324.56 g/mol
LogP2.37
Rot. Bonds2

About (4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride

(4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171184139) has the molecular formula C10H11BrClNO4 and a molecular weight of 324.56 g/mol. Its IUPAC name is (4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171184139
Molecular FormulaC10H11BrClNO4
Molecular Weight324.56 g/mol
Exact Mass322.96
IUPAC Name(4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCOc1cc(Br)cc([C@H]2COC(=O)N2)c1O.Cl
InChIInChI=1S/C10H10BrNO4.ClH/c1-15-8-3-5(11)2-6(9(8)13)7-4-16-10(14)12-7;/h2-3,7,13H,4H2,1H3,(H,12,14);1H/t7-;/m1./s1
InChIKeyRSWKNDLUPRKUGG-OGFXRTJISA-N
XLogP2.37
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171184139) is (4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride is COc1cc(Br)cc([C@H]2COC(=O)N2)c1O.Cl.
What is the InChIKey of (4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is RSWKNDLUPRKUGG-OGFXRTJISA-N. The full InChI is InChI=1S/C10H10BrNO4.ClH/c1-15-8-3-5(11)2-6(9(8)13)7-4-16-10(14)12-7;/h2-3,7,13H,4H2,1H3,(H,12,14);1H/t7-;/m1./s1.
What are the key properties of (4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 324.56 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171184139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).