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

C12H16N2O2 — CID 82286284

IUPAC5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one
SMILESCCc1ccc(C2(CN)CNC(=O)O2)cc1
InChIInChI=1S/C12H16N2O2/c1-2-9-3-5-10(6-4-9)12(7-13)8-14-11(15)16-12/h3-6H,2,7-8,13H2,1H3,(H,14,15)
InChIKeyVPVYZYFQROAKEW-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.14
Rot. Bonds3

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

5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one (PubChem CID 82286284) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one
PubChem CID82286284
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one
SMILESCCc1ccc(C2(CN)CNC(=O)O2)cc1
InChIInChI=1S/C12H16N2O2/c1-2-9-3-5-10(6-4-9)12(7-13)8-14-11(15)16-12/h3-6H,2,7-8,13H2,1H3,(H,14,15)
InChIKeyVPVYZYFQROAKEW-UHFFFAOYSA-N
XLogP1.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
CID 82290685
5-(aminomethyl)-5-(4-methoxy-3-methylphenyl)-1,3-oxazolidin-2-one
CID 82291580
5-(aminomethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazolidin-2-one
CID 82304399
2,2-bis(4-ethylphenyl)-1,3-dioxane-4,6-dione
CID 70278572
4-(4-ethylphenyl)-4-methylpyrrolidin-2-one
CID 66106295
2-(4-ethylphenyl)-2-methylaziridine
CID 82467898
[1-(4-ethylphenyl)-2,2-dimethylcyclopropyl]methanamine
CID 83700838
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one
CID 105474478
1-(4-ethylphenyl)cyclobutane-1-carbohydrazide
CID 116844257
1,4-diethylbenzene;oxoalumane
CID 174317758
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one (CID 82286284) is 5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one is CCc1ccc(C2(CN)CNC(=O)O2)cc1.
What is the InChIKey of 5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is VPVYZYFQROAKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-9-3-5-10(6-4-9)12(7-13)8-14-11(15)16-12/h3-6H,2,7-8,13H2,1H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-5-(4-ethylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82286284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).