(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride

C10H11BrClNO2 — CID 171183818

IUPAC(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1ccc([C@H]2COC(=O)N2)c(Br)c1.Cl
InChIInChI=1S/C10H10BrNO2.ClH/c1-6-2-3-7(8(11)4-6)9-5-14-10(13)12-9;/h2-4,9H,5H2,1H3,(H,12,13);1H/t9-;/m1./s1
InChIKeyKHAYOPZJIQZEBZ-SBSPUUFOSA-N
MW292.56 g/mol
LogP2.96
Rot. Bonds1

About (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride

(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171183818) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171183818
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Name(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1ccc([C@H]2COC(=O)N2)c(Br)c1.Cl
InChIInChI=1S/C10H10BrNO2.ClH/c1-6-2-3-7(8(11)4-6)9-5-14-10(13)12-9;/h2-4,9H,5H2,1H3,(H,12,13);1H/t9-;/m1./s1
InChIKeyKHAYOPZJIQZEBZ-SBSPUUFOSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171183818) is (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride is Cc1ccc([C@H]2COC(=O)N2)c(Br)c1.Cl.
What is the InChIKey of (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is KHAYOPZJIQZEBZ-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H10BrNO2.ClH/c1-6-2-3-7(8(11)4-6)9-5-14-10(13)12-9;/h2-4,9H,5H2,1H3,(H,12,13);1H/t9-;/m1./s1.
What are the key properties of (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 292.56 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171183818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).