5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one

C12H15NO3 — CID 15459

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IUPAC5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)cc(OCC2CNC(=O)O2)c1
InChIInChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)
InChIKeyIMWZZHHPURKASS-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.79
Rot. Bonds3

About 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one

5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one (PubChem CID 15459) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
PubChem CID15459
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)cc(OCC2CNC(=O)O2)c1
InChIInChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)
InChIKeyIMWZZHHPURKASS-UHFFFAOYSA-N
XLogP1.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mephenoxalone
CID 6257
5-[(2,6-Dimethylphenoxy)methyl]-2-oxazolidinone
CID 2884305
5-((4-Methoxyphenoxy)methyl)-2-oxazolidinone
CID 650874
5-[(2-Methylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 2883881
Butyl-carbamic acid 2-m-tolyloxycarbonylamino-ethyl ester
CID 3115334
[2-(Cyclopropylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 2406815
5-(Naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
CID 2793774
2-(3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 2861884
1-Methyl-2-{[(3-methylphenoxy)carbonyl]amino}ethyl butylcarbamate
CID 3245950
Methyl [2-(2,5-dimethylphenoxy)ethyl]carbamate
CID 2216614
5-((2,3-Dimethylphenoxy)methyl)-3-methyloxazolidin-2-one
CID 44426056
(5R)-5-((3,5-Dimethylphenoxy)methyl)-1,3-oxazolidin-2-one
CID 25271694

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one (CID 15459) is 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one is Cc1cc(C)cc(OCC2CNC(=O)O2)c1.
What is the InChIKey of 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one?
The InChIKey is IMWZZHHPURKASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one?
5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).