3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one

C11H12BrNO3 — CID 117011660

IUPAC3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
SMILESO=C1OC(CO)CCN1c1ccccc1Br
InChIInChI=1S/C11H12BrNO3/c12-9-3-1-2-4-10(9)13-6-5-8(7-14)16-11(13)15/h1-4,8,14H,5-7H2
InChIKeyGVWLIAYHPSIIDV-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.16
Rot. Bonds2

About 3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one

3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one (PubChem CID 117011660) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
PubChem CID117011660
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
SMILESO=C1OC(CO)CCN1c1ccccc1Br
InChIInChI=1S/C11H12BrNO3/c12-9-3-1-2-4-10(9)13-6-5-8(7-14)16-11(13)15/h1-4,8,14H,5-7H2
InChIKeyGVWLIAYHPSIIDV-UHFFFAOYSA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-bromophenyl)-2-oxo-1,3-oxazinane-6-carboxylic acid
CID 117010365
5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82023132
3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011618
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 115003408
5-(hydroxymethyl)-3-(2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 19773689
3-(2-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011572
3-(4-tert-butylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011629
2-[3-(2-bromo-4-methylphenyl)-2-oxo-1,3-oxazinan-6-yl]acetic acid
CID 117011083
1-(2-bromophenyl)-3-(hydroxymethyl)-4,5-dimethyl-1,4-diazepan-2-one
CID 84608108
(3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 94010469
3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 76610876
3-(2-bromophenyl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009765

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one (CID 117011660) is 3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one is O=C1OC(CO)CCN1c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one?
The InChIKey is GVWLIAYHPSIIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c12-9-3-1-2-4-10(9)13-6-5-8(7-14)16-11(13)15/h1-4,8,14H,5-7H2.
What are the key properties of 3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one?
3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one has a molecular weight of 286.12 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117011660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).