(4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride

C9H8Cl3NO2 — CID 171183694

IUPAC(4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2c(Cl)cccc2Cl)CO1
InChIInChI=1S/C9H7Cl2NO2.ClH/c10-5-2-1-3-6(11)8(5)7-4-14-9(13)12-7;/h1-3,7H,4H2,(H,12,13);1H/t7-;/m1./s1
InChIKeyNHZHFFOGWARWQZ-OGFXRTJISA-N
MW268.53 g/mol
LogP3.20
Rot. Bonds1

About (4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride

(4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171183694) has the molecular formula C9H8Cl3NO2 and a molecular weight of 268.53 g/mol. Its IUPAC name is (4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171183694
Molecular FormulaC9H8Cl3NO2
Molecular Weight268.53 g/mol
Exact Mass266.96
IUPAC Name(4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2c(Cl)cccc2Cl)CO1
InChIInChI=1S/C9H7Cl2NO2.ClH/c10-5-2-1-3-6(11)8(5)7-4-14-9(13)12-7;/h1-3,7H,4H2,(H,12,13);1H/t7-;/m1./s1
InChIKeyNHZHFFOGWARWQZ-OGFXRTJISA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.53
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184596
(4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one
CID 171184657
(4S)-4-(3-chloro-2-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184031
(4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one
CID 130613625
(4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183799
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
(4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one
CID 131448512
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183833
(4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184660
(4R)-4-(2-chloro-5-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184397
(4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184050
(4S)-4-(2,6-dichlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187548

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171183694) is (4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride is Cl.O=C1N[C@@H](c2c(Cl)cccc2Cl)CO1.
What is the InChIKey of (4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is NHZHFFOGWARWQZ-OGFXRTJISA-N. The full InChI is InChI=1S/C9H7Cl2NO2.ClH/c10-5-2-1-3-6(11)8(5)7-4-14-9(13)12-7;/h1-3,7H,4H2,(H,12,13);1H/t7-;/m1./s1.
What are the key properties of (4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 268.53 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171183694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).