6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one

C12H16N2O3 — CID 117010770

IUPAC6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
SMILESCOc1ccc(N2CCC(CN)OC2=O)cc1
InChIInChI=1S/C12H16N2O3/c1-16-10-4-2-9(3-5-10)14-7-6-11(8-13)17-12(14)15/h2-5,11H,6-8,13H2,1H3
InChIKeyFXEYHSPVGQAGLS-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.37
Rot. Bonds3

About 6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one

6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one (PubChem CID 117010770) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
PubChem CID117010770
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
SMILESCOc1ccc(N2CCC(CN)OC2=O)cc1
InChIInChI=1S/C12H16N2O3/c1-16-10-4-2-9(3-5-10)14-7-6-11(8-13)17-12(14)15/h2-5,11H,6-8,13H2,1H3
InChIKeyFXEYHSPVGQAGLS-UHFFFAOYSA-N
XLogP1.37
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-3-(4-bromo-3-methylphenyl)-1,3-oxazinan-2-one
CID 117010789
(5R)-5-(aminomethyl)-3-[3-fluoro-4-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-1,3-oxazolidin-2-one
CID 86577499
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
3-(4-tert-butylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011629
N-[4-[1-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]sulfanylphenyl]acetamide
CID 57143499
ethyl 2-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate
CID 16921319
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylpropanamide
CID 16921301
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 142761083
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
(5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 158131550

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one (CID 117010770) is 6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one is COc1ccc(N2CCC(CN)OC2=O)cc1.
What is the InChIKey of 6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one?
The InChIKey is FXEYHSPVGQAGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-16-10-4-2-9(3-5-10)14-7-6-11(8-13)17-12(14)15/h2-5,11H,6-8,13H2,1H3.
What are the key properties of 6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one?
6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117010770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).