(4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one

C9H6Cl3NO2 — CID 171184657

IUPAC(4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2c(Cl)ccc(Cl)c2Cl)CO1
InChIInChI=1S/C9H6Cl3NO2/c10-4-1-2-5(11)8(12)7(4)6-3-15-9(14)13-6/h1-2,6H,3H2,(H,13,14)/t6-/m0/s1
InChIKeyCQCNIHHDSQIXOD-LURJTMIESA-N
MW266.51 g/mol
LogP3.43
Rot. Bonds1

About (4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one

(4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one (PubChem CID 171184657) has the molecular formula C9H6Cl3NO2 and a molecular weight of 266.51 g/mol. Its IUPAC name is (4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one
PubChem CID171184657
Molecular FormulaC9H6Cl3NO2
Molecular Weight266.51 g/mol
Exact Mass264.95
IUPAC Name(4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2c(Cl)ccc(Cl)c2Cl)CO1
InChIInChI=1S/C9H6Cl3NO2/c10-4-1-2-5(11)8(12)7(4)6-3-15-9(14)13-6/h1-2,6H,3H2,(H,13,14)/t6-/m0/s1
InChIKeyCQCNIHHDSQIXOD-LURJTMIESA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183694
(4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one
CID 131448512
(4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184596
(4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one
CID 130613625
(4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one
CID 131128673
(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-chloro-5-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184397
(4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184050
4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one
CID 130148770
(4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
CID 130692441
4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 106819070

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one (CID 171184657) is (4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one is O=C1N[C@H](c2c(Cl)ccc(Cl)c2Cl)CO1.
What is the InChIKey of (4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is CQCNIHHDSQIXOD-LURJTMIESA-N. The full InChI is InChI=1S/C9H6Cl3NO2/c10-4-1-2-5(11)8(12)7(4)6-3-15-9(14)13-6/h1-2,6H,3H2,(H,13,14)/t6-/m0/s1.
What are the key properties of (4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one?
(4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 266.51 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 171184657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).