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

C11H14ClNO4 — CID 171183799

IUPAC(4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCOc1cccc(OC)c1[C@H]1COC(=O)N1.Cl
InChIInChI=1S/C11H13NO4.ClH/c1-14-8-4-3-5-9(15-2)10(8)7-6-16-11(13)12-7;/h3-5,7H,6H2,1-2H3,(H,12,13);1H/t7-;/m1./s1
InChIKeyVQVDWALJYAMZIO-OGFXRTJISA-N
MW259.69 g/mol
LogP1.91
Rot. Bonds3

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

(4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171183799) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is (4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171183799
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name(4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCOc1cccc(OC)c1[C@H]1COC(=O)N1.Cl
InChIInChI=1S/C11H13NO4.ClH/c1-14-8-4-3-5-9(15-2)10(8)7-6-16-11(13)12-7;/h3-5,7H,6H2,1-2H3,(H,12,13);1H/t7-;/m1./s1
InChIKeyVQVDWALJYAMZIO-OGFXRTJISA-N
XLogP1.91
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520
(4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183694
(4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one
CID 171184846
(4R)-4-(2,5-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184283
(4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184596
(4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one
CID 171183810
(4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187796
(4S)-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185659
(4R)-4-(2,6-dimethoxyphenyl)imidazolidin-2-one
CID 171252504
(7R)-7-(2,6-dimethoxyphenyl)azepan-2-one
CID 129395184
(4S)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129373304
(4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184660

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171183799) is (4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride is COc1cccc(OC)c1[C@H]1COC(=O)N1.Cl.
What is the InChIKey of (4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is VQVDWALJYAMZIO-OGFXRTJISA-N. The full InChI is InChI=1S/C11H13NO4.ClH/c1-14-8-4-3-5-9(15-2)10(8)7-6-16-11(13)12-7;/h3-5,7H,6H2,1-2H3,(H,12,13);1H/t7-;/m1./s1.
What are the key properties of (4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 259.69 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171183799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).