(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride

C11H14ClNO2 — CID 171183820

IUPAC(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1cc(C)cc([C@H]2COC(=O)N2)c1.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-7-3-8(2)5-9(4-7)10-6-14-11(13)12-10;/h3-5,10H,6H2,1-2H3,(H,12,13);1H/t10-;/m1./s1
InChIKeyXUKNNFGJYAXEIE-HNCPQSOCSA-N
MW227.69 g/mol
LogP2.51
Rot. Bonds1

About (4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride

(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171183820) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171183820
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1cc(C)cc([C@H]2COC(=O)N2)c1.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-7-3-8(2)5-9(4-7)10-6-14-11(13)12-10;/h3-5,10H,6H2,1-2H3,(H,12,13);1H/t10-;/m1./s1
InChIKeyXUKNNFGJYAXEIE-HNCPQSOCSA-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

(4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
CID 171183886
4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol
CID 143702720
(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 171183721
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183818
(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183858
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 171184420
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 106819070
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 130067475
(4R)-4-(2,3,4,5,6-pentamethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184660
(4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one
CID 130067434

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171183820) is (4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride is Cc1cc(C)cc([C@H]2COC(=O)N2)c1.Cl.
What is the InChIKey of (4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is XUKNNFGJYAXEIE-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-7-3-8(2)5-9(4-7)10-6-14-11(13)12-10;/h3-5,10H,6H2,1-2H3,(H,12,13);1H/t10-;/m1./s1.
What are the key properties of (4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4S)-4-(3,5-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 (4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171183820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).