(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride

C11H14ClNO2 — CID 171184393

IUPAC(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1cccc([C@@H]2COC(=O)N2)c1C.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-7-4-3-5-9(8(7)2)10-6-14-11(13)12-10;/h3-5,10H,6H2,1-2H3,(H,12,13);1H/t10-;/m0./s1
InChIKeyBDTLNLLWNKHRHS-PPHPATTJSA-N
MW227.69 g/mol
LogP2.51
Rot. Bonds1

About (4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride

(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171184393) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171184393
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1cccc([C@@H]2COC(=O)N2)c1C.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-7-4-3-5-9(8(7)2)10-6-14-11(13)12-10;/h3-5,10H,6H2,1-2H3,(H,12,13);1H/t10-;/m0./s1
InChIKeyBDTLNLLWNKHRHS-PPHPATTJSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(2-chloro-6-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184596
(4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one
CID 130067434
(4S)-4-(3-chloro-2-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184031
(4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
CID 131484932
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183818
4-(2-iodophenyl)-1,3-oxazolidin-2-one
CID 130156491
(4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one
CID 171184161
(4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one
CID 130692620
(4R)-4-(2-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 131085137
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 130067475
(2R)-2-(2,3-dimethylphenyl)azetidine
CID 130714481
(4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184655

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171184393) is (4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride is Cc1cccc([C@@H]2COC(=O)N2)c1C.Cl.
What is the InChIKey of (4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is BDTLNLLWNKHRHS-PPHPATTJSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-7-4-3-5-9(8(7)2)10-6-14-11(13)12-10;/h3-5,10H,6H2,1-2H3,(H,12,13);1H/t10-;/m0./s1.
What are the key properties of (4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 2.51, 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-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171184393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).