(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one

C13H17NO4 — CID 97054788

IUPAC(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(C[C@@]2(C)CNC(=O)O2)cc1OC
InChIInChI=1S/C13H17NO4/c1-13(8-14-12(15)18-13)7-9-4-5-10(16-2)11(6-9)17-3/h4-6H,7-8H2,1-3H3,(H,14,15)/t13-/m0/s1
InChIKeyLFXYBGLDSWDJNE-ZDUSSCGKSA-N
MW251.28 g/mol
LogP1.74
Rot. Bonds4

About (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one

(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 97054788) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID97054788
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(C[C@@]2(C)CNC(=O)O2)cc1OC
InChIInChI=1S/C13H17NO4/c1-13(8-14-12(15)18-13)7-9-4-5-10(16-2)11(6-9)17-3/h4-6H,7-8H2,1-3H3,(H,14,15)/t13-/m0/s1
InChIKeyLFXYBGLDSWDJNE-ZDUSSCGKSA-N
XLogP1.74
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2063611
5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 117158984
4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one
CID 66106580
5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 10334619
4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 114487056
5-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 82049149
4-[(3,4-dimethoxyphenyl)methyl]-5-imino-4-methylimidazolidin-2-one
CID 138389637
4-benzyl-3-[(3,4-dimethoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 54062999
4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione
CID 63789962
5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione
CID 116856099
5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 82049150
1-[(3,4-dimethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 79424763

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one (CID 97054788) is (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one is COc1ccc(C[C@@]2(C)CNC(=O)O2)cc1OC.
What is the InChIKey of (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is LFXYBGLDSWDJNE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17NO4/c1-13(8-14-12(15)18-13)7-9-4-5-10(16-2)11(6-9)17-3/h4-6H,7-8H2,1-3H3,(H,14,15)/t13-/m0/s1.
What are the key properties of (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 251.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 97054788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).