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

C13H17NO3 — CID 82049150

IUPAC5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCOc1cc(C)c(C2(C)CNC(=O)O2)cc1C
InChIInChI=1S/C13H17NO3/c1-8-6-11(16-4)9(2)5-10(8)13(3)7-14-12(15)17-13/h5-6H,7H2,1-4H3,(H,14,15)
InChIKeyHASADSCSABYLGE-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.27
Rot. Bonds2

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

5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one (PubChem CID 82049150) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
PubChem CID82049150
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCOc1cc(C)c(C2(C)CNC(=O)O2)cc1C
InChIInChI=1S/C13H17NO3/c1-8-6-11(16-4)9(2)5-10(8)13(3)7-14-12(15)17-13/h5-6H,7H2,1-4H3,(H,14,15)
InChIKeyHASADSCSABYLGE-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 82049149
5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one
CID 82304399
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one
CID 116538548
5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one
CID 82291580
3-chloro-3-(4-methoxy-2,5-dimethylphenyl)oxetane
CID 116876485
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-oxazolidin-2-one
CID 82048800
2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid
CID 116872053
(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 97054788
(5R)-5-(4-fluorophenyl)-5-methyl-1,3-oxazolidin-2-one
CID 93182568
[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]hydrazine
CID 116876261
2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 82127880

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one (CID 82049150) is 5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one is COc1cc(C)c(C2(C)CNC(=O)O2)cc1C.
What is the InChIKey of 5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is HASADSCSABYLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-6-11(16-4)9(2)5-10(8)13(3)7-14-12(15)17-13/h5-6H,7H2,1-4H3,(H,14,15).
What are the key properties of 5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one?
5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 82049150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).