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

C9H8BrCl2NO2 — CID 171183833

IUPAC(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccc(Cl)c(Br)c2)CO1
InChIInChI=1S/C9H7BrClNO2.ClH/c10-6-3-5(1-2-7(6)11)8-4-14-9(13)12-8;/h1-3,8H,4H2,(H,12,13);1H/t8-;/m1./s1
InChIKeyQLZLJLCQDWYCJA-DDWIOCJRSA-N
MW312.98 g/mol
LogP3.31
Rot. Bonds1

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

(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171183833) has the molecular formula C9H8BrCl2NO2 and a molecular weight of 312.98 g/mol. Its IUPAC name is (4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171183833
Molecular FormulaC9H8BrCl2NO2
Molecular Weight312.98 g/mol
Exact Mass310.91
IUPAC Name(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccc(Cl)c(Br)c2)CO1
InChIInChI=1S/C9H7BrClNO2.ClH/c10-6-3-5(1-2-7(6)11)8-4-14-9(13)12-8;/h1-3,8H,4H2,(H,12,13);1H/t8-;/m1./s1
InChIKeyQLZLJLCQDWYCJA-DDWIOCJRSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.98
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171183833) is (4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride is Cl.O=C1N[C@@H](c2ccc(Cl)c(Br)c2)CO1.
What is the InChIKey of (4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is QLZLJLCQDWYCJA-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H7BrClNO2.ClH/c10-6-3-5(1-2-7(6)11)8-4-14-9(13)12-8;/h1-3,8H,4H2,(H,12,13);1H/t8-;/m1./s1.
What are the key properties of (4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 312.98 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171183833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).