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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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).