(4R,5R)-4-hydroxy-2-methyl-5-(4-methylphenyl)-1,2-oxazolidin-3-one

C11H13NO3 — CID 102233116

IUPAC(4R,5R)-4-hydroxy-2-methyl-5-(4-methylphenyl)-1,2-oxazolidin-3-one
SMILESCc1ccc([C@H]2ON(C)C(=O)[C@@H]2O)cc1
InChIInChI=1S/C11H13NO3/c1-7-3-5-8(6-4-7)10-9(13)11(14)12(2)15-10/h3-6,9-10,13H,1-2H3/t9-,10-/m1/s1
InChIKeyAYHFMVWHFABRLI-NXEZZACHSA-N
MW207.23 g/mol
LogP0.80
Rot. Bonds1

About (4R,5R)-4-hydroxy-2-methyl-5-(4-methylphenyl)-1,2-oxazolidin-3-one

(4R,5R)-4-hydroxy-2-methyl-5-(4-methylphenyl)-1,2-oxazolidin-3-one (PubChem CID 102233116) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (4R,5R)-4-hydroxy-2-methyl-5-(4-methylphenyl)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name(4R,5R)-4-hydroxy-2-methyl-5-(4-methylphenyl)-1,2-oxazolidin-3-one
PubChem CID102233116
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(4R,5R)-4-hydroxy-2-methyl-5-(4-methylphenyl)-1,2-oxazolidin-3-one
SMILESCc1ccc([C@H]2ON(C)C(=O)[C@@H]2O)cc1
InChIInChI=1S/C11H13NO3/c1-7-3-5-8(6-4-7)10-9(13)11(14)12(2)15-10/h3-6,9-10,13H,1-2H3/t9-,10-/m1/s1
InChIKeyAYHFMVWHFABRLI-NXEZZACHSA-N
XLogP0.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N,3-dihydroxy-N-methylpropanamide
CID 155514177
3-(3-fluorophenyl)-N,3-dihydroxy-N-methylpropanamide
CID 155562391
2-hydroxy-N-methoxy-N-methyl-2-phenylacetamide
CID 15933071
N-Methyl-N-methoxy-2-hydroxy-3-phenylpropanamide
CID 22910157
(2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy(phenyl)methyl]-N-methoxy-N-methylpropanamide
CID 21574369
(2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide
CID 23237247
n-[Methyl] n-[methoxyl] 2-hydroxy-2-(4-fluorophenyl)acetamide
CID 17981728
(3R)-3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 164579782
3-hydroxy-N,N-dimethyl-3-(4-(trifluoromethyl)phenyl)propanamide
CID 177016070
(3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
CID 15526414
(2R)-2-hydroxy-N-methoxy-N-methyl-2-phenylacetamide
CID 21576959
(2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide
CID 101488887

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-hydroxy-2-methyl-5-(4-methylphenyl)-1,2-oxazolidin-3-one?
The IUPAC name of (4R,5R)-4-hydroxy-2-methyl-5-(4-methylphenyl)-1,2-oxazolidin-3-one (CID 102233116) is (4R,5R)-4-hydroxy-2-methyl-5-(4-methylphenyl)-1,2-oxazolidin-3-one.
What is the SMILES notation for (4R,5R)-4-hydroxy-2-methyl-5-(4-methylphenyl)-1,2-oxazolidin-3-one?
The canonical SMILES for (4R,5R)-4-hydroxy-2-methyl-5-(4-methylphenyl)-1,2-oxazolidin-3-one is Cc1ccc([C@H]2ON(C)C(=O)[C@@H]2O)cc1.
What is the InChIKey of (4R,5R)-4-hydroxy-2-methyl-5-(4-methylphenyl)-1,2-oxazolidin-3-one?
The InChIKey is AYHFMVWHFABRLI-NXEZZACHSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-3-5-8(6-4-7)10-9(13)11(14)12(2)15-10/h3-6,9-10,13H,1-2H3/t9-,10-/m1/s1.
What are the key properties of (4R,5R)-4-hydroxy-2-methyl-5-(4-methylphenyl)-1,2-oxazolidin-3-one?
(4R,5R)-4-hydroxy-2-methyl-5-(4-methylphenyl)-1,2-oxazolidin-3-one has a molecular weight of 207.23 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-hydroxy-2-methyl-5-(4-methylphenyl)-1,2-oxazolidin-3-one is sourced from PubChem (CID 102233116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).