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

C9H7Cl2NO3 — CID 131574864

IUPAC(4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cc(Cl)cc(Cl)c2O)CO1
InChIInChI=1S/C9H7Cl2NO3/c10-4-1-5(8(13)6(11)2-4)7-3-15-9(14)12-7/h1-2,7,13H,3H2,(H,12,14)/t7-/m1/s1
InChIKeyFDNMPXJRGRAGEU-SSDOTTSWSA-N
MW248.06 g/mol
LogP2.48
Rot. Bonds1

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

(4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 131574864) has the molecular formula C9H7Cl2NO3 and a molecular weight of 248.06 g/mol. Its IUPAC name is (4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
PubChem CID131574864
Molecular FormulaC9H7Cl2NO3
Molecular Weight248.06 g/mol
Exact Mass246.98
IUPAC Name(4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cc(Cl)cc(Cl)c2O)CO1
InChIInChI=1S/C9H7Cl2NO3/c10-4-1-5(8(13)6(11)2-4)7-3-15-9(14)12-7/h1-2,7,13H,3H2,(H,12,14)/t7-/m1/s1
InChIKeyFDNMPXJRGRAGEU-SSDOTTSWSA-N
XLogP2.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.06
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one
CID 131128673
(4S)-4-(5-chloro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
CID 171185976
2-[(2S)-azetidin-2-yl]-4,6-dichlorophenol;hydrochloride
CID 171196609
(4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184780
(4S)-4-(2-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067480
5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione
CID 12901633
(4R)-4-(2-chloro-5-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184397
(4S)-4-(2,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171185910
(4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184139
4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130147402
(4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184015
(4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one
CID 171252851

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one (CID 131574864) is (4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one is O=C1N[C@@H](c2cc(Cl)cc(Cl)c2O)CO1.
What is the InChIKey of (4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is FDNMPXJRGRAGEU-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H7Cl2NO3/c10-4-1-5(8(13)6(11)2-4)7-3-15-9(14)12-7/h1-2,7,13H,3H2,(H,12,14)/t7-/m1/s1.
What are the key properties of (4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one?
(4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 248.06 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 131574864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).