(4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one

C9H7Cl2NO2 — CID 131128673

IUPAC(4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cc(Cl)ccc2Cl)CO1
InChIInChI=1S/C9H7Cl2NO2/c10-5-1-2-7(11)6(3-5)8-4-14-9(13)12-8/h1-3,8H,4H2,(H,12,13)/t8-/m1/s1
InChIKeyYLGLUOIJIJZNHW-MRVPVSSYSA-N
MW232.07 g/mol
LogP2.77
Rot. Bonds1

About (4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one

(4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one (PubChem CID 131128673) has the molecular formula C9H7Cl2NO2 and a molecular weight of 232.07 g/mol. Its IUPAC name is (4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one
PubChem CID131128673
Molecular FormulaC9H7Cl2NO2
Molecular Weight232.07 g/mol
Exact Mass230.99
IUPAC Name(4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cc(Cl)ccc2Cl)CO1
InChIInChI=1S/C9H7Cl2NO2/c10-5-1-2-7(11)6(3-5)8-4-14-9(13)12-8/h1-3,8H,4H2,(H,12,13)/t8-/m1/s1
InChIKeyYLGLUOIJIJZNHW-MRVPVSSYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-4-(2-chloro-5-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184397
(4S)-4-(2-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067480
(4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 131574864
(4S)-4-(2,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171185910
(4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184050
(4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one
CID 171184657
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067478
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183833
(4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one
CID 130067450
(4S)-4-(3-chloro-2-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184031
(4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183694
(4R)-4-(2-chloro-5-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185134

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one (CID 131128673) is (4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one is O=C1N[C@@H](c2cc(Cl)ccc2Cl)CO1.
What is the InChIKey of (4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is YLGLUOIJIJZNHW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H7Cl2NO2/c10-5-1-2-7(11)6(3-5)8-4-14-9(13)12-8/h1-3,8H,4H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one?
(4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 232.07 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 131128673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).