(4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one

C8H6Cl2N2O2 — CID 130613625

IUPAC(4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2c(Cl)cncc2Cl)CO1
InChIInChI=1S/C8H6Cl2N2O2/c9-4-1-11-2-5(10)7(4)6-3-14-8(13)12-6/h1-2,6H,3H2,(H,12,13)/t6-/m0/s1
InChIKeyXVJFOCPYHNEHEV-LURJTMIESA-N
MW233.05 g/mol
LogP2.17
Rot. Bonds1

About (4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one

(4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one (PubChem CID 130613625) has the molecular formula C8H6Cl2N2O2 and a molecular weight of 233.05 g/mol. Its IUPAC name is (4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one
PubChem CID130613625
Molecular FormulaC8H6Cl2N2O2
Molecular Weight233.05 g/mol
Exact Mass231.98
IUPAC Name(4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2c(Cl)cncc2Cl)CO1
InChIInChI=1S/C8H6Cl2N2O2/c9-4-1-11-2-5(10)7(4)6-3-14-8(13)12-6/h1-2,6H,3H2,(H,12,13)/t6-/m0/s1
InChIKeyXVJFOCPYHNEHEV-LURJTMIESA-N
XLogP2.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.05
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one
CID 131448512
(4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183694
(4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one
CID 171184657
4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one
CID 130150204
(4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184596
(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one
CID 131173186
4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one
CID 57157791
(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
(4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184660
(4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one
CID 131128673
4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one
CID 130148770

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one (CID 130613625) is (4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one is O=C1N[C@H](c2c(Cl)cncc2Cl)CO1.
What is the InChIKey of (4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one?
The InChIKey is XVJFOCPYHNEHEV-LURJTMIESA-N. The full InChI is InChI=1S/C8H6Cl2N2O2/c9-4-1-11-2-5(10)7(4)6-3-14-8(13)12-6/h1-2,6H,3H2,(H,12,13)/t6-/m0/s1.
What are the key properties of (4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one?
(4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one has a molecular weight of 233.05 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130613625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).