2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone

C12H14BrNO2 — CID 110739668

IUPAC2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCCOC1
InChIInChI=1S/C12H14BrNO2/c13-11-4-2-10(3-5-11)8-12(15)14-6-1-7-16-9-14/h2-5H,1,6-9H2
InChIKeyDMHSDMHEWZBQRJ-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.20
Rot. Bonds2

About 2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone

2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone (PubChem CID 110739668) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone
PubChem CID110739668
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCCOC1
InChIInChI=1S/C12H14BrNO2/c13-11-4-2-10(3-5-11)8-12(15)14-6-1-7-16-9-14/h2-5H,1,6-9H2
InChIKeyDMHSDMHEWZBQRJ-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119416494
1-[4-[2-(4-bromophenyl)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796892
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121186980
2-(4-bromophenyl)-1-(3,3-difluoropiperidin-1-yl)ethanone
CID 121409675
2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone
CID 110746558
2-(4-bromophenyl)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone
CID 110739849
1-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110817436
2-(4-bromophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712388
2-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712327
2-(4-bromophenyl)-1-[4-(2-chloroethyl)piperazin-1-yl]ethanone
CID 63395536

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone (CID 110739668) is 2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone is O=C(Cc1ccc(Br)cc1)N1CCCOC1.
What is the InChIKey of 2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone?
The InChIKey is DMHSDMHEWZBQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-11-4-2-10(3-5-11)8-12(15)14-6-1-7-16-9-14/h2-5H,1,6-9H2.
What are the key properties of 2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone?
2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone has a molecular weight of 284.15 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone is sourced from PubChem (CID 110739668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).