3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one

C12H14BrNO2 — CID 107575225

IUPAC3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one
SMILESCc1cc(N2CCCOC2=O)cc(C)c1Br
InChIInChI=1S/C12H14BrNO2/c1-8-6-10(7-9(2)11(8)13)14-4-3-5-16-12(14)15/h6-7H,3-5H2,1-2H3
InChIKeyZYVHBEDPAMNRAC-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.41
Rot. Bonds1

About 3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one

3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one (PubChem CID 107575225) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one
PubChem CID107575225
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one
SMILESCc1cc(N2CCCOC2=O)cc(C)c1Br
InChIInChI=1S/C12H14BrNO2/c1-8-6-10(7-9(2)11(8)13)14-4-3-5-16-12(14)15/h6-7H,3-5H2,1-2H3
InChIKeyZYVHBEDPAMNRAC-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one
CID 103145543
3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one
CID 66817851
4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one
CID 66816624
3-(4-chlorophenyl)-1,3-oxazinan-2-one
CID 13450496
3-(2-methylpyrimidin-1-ium-5-yl)-1,3-oxazinan-2-one
CID 163527563
1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one
CID 107579697
3-(2-oxo-1,3-oxazinan-3-yl)-5-(trifluoromethyl)benzoic acid
CID 61351151
3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one
CID 58845375
3-(2-oxo-1,3-oxazinan-3-yl)benzonitrile
CID 79686638
1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione
CID 107575196
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one
CID 104549227
3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one
CID 61349238

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one (CID 107575225) is 3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one is Cc1cc(N2CCCOC2=O)cc(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one?
The InChIKey is ZYVHBEDPAMNRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-8-6-10(7-9(2)11(8)13)14-4-3-5-16-12(14)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one?
3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one has a molecular weight of 284.15 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 107575225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).