5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one

C13H18N2O4 — CID 82304399

IUPAC5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCOc1cc(C2(CN)CNC(=O)O2)c(OC)cc1C
InChIInChI=1S/C13H18N2O4/c1-8-4-11(18-3)9(5-10(8)17-2)13(6-14)7-15-12(16)19-13/h4-5H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyHEQZABHDZAIUQG-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.91
Rot. Bonds4

About 5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one

5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 82304399) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID82304399
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCOc1cc(C2(CN)CNC(=O)O2)c(OC)cc1C
InChIInChI=1S/C13H18N2O4/c1-8-4-11(18-3)9(5-10(8)17-2)13(6-14)7-15-12(16)19-13/h4-5H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyHEQZABHDZAIUQG-UHFFFAOYSA-N
XLogP0.91
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one
CID 82291580
5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 82049150
5-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 82049149
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one
CID 82286284
[(2S)-2-[5-methoxy-4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylpropanoate
CID 162965818
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430
3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine
CID 94277490
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate
CID 116875799
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
CID 117377399

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one (CID 82304399) is 5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one is COc1cc(C2(CN)CNC(=O)O2)c(OC)cc1C.
What is the InChIKey of 5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is HEQZABHDZAIUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-4-11(18-3)9(5-10(8)17-2)13(6-14)7-15-12(16)19-13/h4-5H,6-7,14H2,1-3H3,(H,15,16).
What are the key properties of 5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 266.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82304399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).