(4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one

C11H12ClNO4 — CID 171183810

IUPAC(4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@H]2COC(=O)N2)c(Cl)c1OC
InChIInChI=1S/C11H12ClNO4/c1-15-8-4-3-6(9(12)10(8)16-2)7-5-17-11(14)13-7/h3-4,7H,5H2,1-2H3,(H,13,14)/t7-/m1/s1
InChIKeyBAOJMIUUIJHTSB-SSDOTTSWSA-N
MW257.67 g/mol
LogP2.14
Rot. Bonds3

About (4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one

(4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 171183810) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is (4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID171183810
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name(4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@H]2COC(=O)N2)c(Cl)c1OC
InChIInChI=1S/C11H12ClNO4/c1-15-8-4-3-6(9(12)10(8)16-2)7-5-17-11(14)13-7/h3-4,7H,5H2,1-2H3,(H,13,14)/t7-/m1/s1
InChIKeyBAOJMIUUIJHTSB-SSDOTTSWSA-N
XLogP2.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
(4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183799
(4R)-4-(2-fluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 171184318
(4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one
CID 131128673
4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one
CID 66106794
2-(2,3,4-trimethoxyphenyl)azepane
CID 62543922
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
(4S)-4-(2-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067480
(4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184139
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one (CID 171183810) is (4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc([C@H]2COC(=O)N2)c(Cl)c1OC.
What is the InChIKey of (4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is BAOJMIUUIJHTSB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-15-8-4-3-6(9(12)10(8)16-2)7-5-17-11(14)13-7/h3-4,7H,5H2,1-2H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one?
(4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 257.67 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-chloro-3,4-dimethoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 171183810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).