5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one

C12H16N2O3 — CID 55205308

IUPAC5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(OCC2CNC(=O)O2)c(CN)c1
InChIInChI=1S/C12H16N2O3/c1-8-2-3-11(9(4-8)5-13)16-7-10-6-14-12(15)17-10/h2-4,10H,5-7,13H2,1H3,(H,14,15)
InChIKeyYPNANHUZZBQWDN-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.94
Rot. Bonds4

About 5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one

5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 55205308) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID55205308
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(OCC2CNC(=O)O2)c(CN)c1
InChIInChI=1S/C12H16N2O3/c1-8-2-3-11(9(4-8)5-13)16-7-10-6-14-12(15)17-10/h2-4,10H,5-7,13H2,1H3,(H,14,15)
InChIKeyYPNANHUZZBQWDN-UHFFFAOYSA-N
XLogP0.94
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one (CID 55205308) is 5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one is Cc1ccc(OCC2CNC(=O)O2)c(CN)c1.
What is the InChIKey of 5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is YPNANHUZZBQWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-2-3-11(9(4-8)5-13)16-7-10-6-14-12(15)17-10/h2-4,10H,5-7,13H2,1H3,(H,14,15).
What are the key properties of 5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 55205308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).