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

C11H13NO2 — CID 130067434

IUPAC(4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc(C)c([C@@H]2COC(=O)N2)c1
InChIInChI=1S/C11H13NO2/c1-7-3-4-8(2)9(5-7)10-6-14-11(13)12-10/h3-5,10H,6H2,1-2H3,(H,12,13)/t10-/m0/s1
InChIKeyFNZYJMXIOLZGQI-JTQLQIEISA-N
MW191.23 g/mol
LogP2.08
Rot. Bonds1

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

(4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one (PubChem CID 130067434) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one
PubChem CID130067434
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc(C)c([C@@H]2COC(=O)N2)c1
InChIInChI=1S/C11H13NO2/c1-7-3-4-8(2)9(5-7)10-6-14-11(13)12-10/h3-5,10H,6H2,1-2H3,(H,12,13)/t10-/m0/s1
InChIKeyFNZYJMXIOLZGQI-JTQLQIEISA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 130067475
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183818
(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 171184420
(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184393
4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 106819070
(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183820
(4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184970
(4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one
CID 130067450
(4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one
CID 131128673
4-(2-iodophenyl)-1,3-oxazolidin-2-one
CID 130156491
(4R)-4-(2,5-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184283
(4R)-4-(2-fluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 171184318

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one (CID 130067434) is (4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one is Cc1ccc(C)c([C@@H]2COC(=O)N2)c1.
What is the InChIKey of (4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is FNZYJMXIOLZGQI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-3-4-8(2)9(5-7)10-6-14-11(13)12-10/h3-5,10H,6H2,1-2H3,(H,12,13)/t10-/m0/s1.
What are the key properties of (4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one?
(4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130067434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).