benzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one

C20H24BrNO3 — CID 143755290

IUPACbenzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
SMILESCC(c1ccc(Br)cc1)N1CCC(CCO)OC1=O.c1ccccc1
InChIInChI=1S/C14H18BrNO3.C6H6/c1-10(11-2-4-12(15)5-3-11)16-8-6-13(7-9-17)19-14(16)18;1-2-4-6-5-3-1/h2-5,10,13,17H,6-9H2,1H3;1-6H
InChIKeyFTZNHFXBGJNDAY-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.79
Rot. Bonds4

About benzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one

benzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one (PubChem CID 143755290) has the molecular formula C20H24BrNO3 and a molecular weight of 406.32 g/mol. Its IUPAC name is benzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Namebenzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
PubChem CID143755290
Molecular FormulaC20H24BrNO3
Molecular Weight406.32 g/mol
Exact Mass405.09
IUPAC Namebenzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
SMILESCC(c1ccc(Br)cc1)N1CCC(CCO)OC1=O.c1ccccc1
InChIInChI=1S/C14H18BrNO3.C6H6/c1-10(11-2-4-12(15)5-3-11)16-8-6-13(7-9-17)19-14(16)18;1-2-4-6-5-3-1/h2-5,10,13,17H,6-9H2,1H3;1-6H
InChIKeyFTZNHFXBGJNDAY-UHFFFAOYSA-N
XLogP4.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-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

benzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide
CID 143755741
3-[1-(4-bromophenyl)ethyl]-6-(2-methylprop-2-enyl)-1,3-oxazinan-2-one
CID 91027756
3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanenitrile;fluorobenzene
CID 143755694
6-(2-hydroxyethyl)-3-[1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one
CID 143755219
3-[1-(4-bromophenyl)ethyl]-6-(2-methylprop-2-enyl)-1,3-oxazinan-2-one;fluorobenzene
CID 143887004
benzene;6-(3-hydroxypropyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one
CID 143755379
benzene;3-[1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 143755342
3-[1-(4-bromo-2-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one;fluorobenzene
CID 143755544
6-(3-hydroxypropyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]-1,3-oxazinan-2-one
CID 143755138
benzene;3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
CID 143755585
3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 143865775
3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one
CID 143755351

Frequently Asked Questions

What is the IUPAC name of benzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one?
The IUPAC name of benzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one (CID 143755290) is benzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one.
What is the SMILES notation for benzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one?
The canonical SMILES for benzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one is CC(c1ccc(Br)cc1)N1CCC(CCO)OC1=O.c1ccccc1.
What is the InChIKey of benzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one?
The InChIKey is FTZNHFXBGJNDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3.C6H6/c1-10(11-2-4-12(15)5-3-11)16-8-6-13(7-9-17)19-14(16)18;1-2-4-6-5-3-1/h2-5,10,13,17H,6-9H2,1H3;1-6H.
What are the key properties of benzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one?
benzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one has a molecular weight of 406.32 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 143755290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).