4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one

C11H8BrNO2 — CID 132519837

IUPAC4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one
SMILESCc1nc(-c2ccc(Br)cc2)cc(=O)o1
InChIInChI=1S/C11H8BrNO2/c1-7-13-10(6-11(14)15-7)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyFXHUMQBXZFISKP-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.77
Rot. Bonds1

About 4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one

4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one (PubChem CID 132519837) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one
PubChem CID132519837
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one
SMILESCc1nc(-c2ccc(Br)cc2)cc(=O)o1
InChIInChI=1S/C11H8BrNO2/c1-7-13-10(6-11(14)15-7)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyFXHUMQBXZFISKP-UHFFFAOYSA-N
XLogP2.77
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one
CID 132608145
2-(4-bromophenyl)-4-(4-methyl-3-nitrophenyl)-1,3-oxazin-6-one
CID 1345437
2-(4-bromophenyl)-4-(4-methylphenyl)-6-phenylpyridine
CID 141475608
3-(4-bromophenyl)-1-methylisoquinoline
CID 141395561
4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine
CID 91926144
[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methanethiol
CID 116894484
[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine
CID 82192450
2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine
CID 118642287
2-(4-bromophenyl)-6-methylpyran-4-one
CID 101175754
3-(4-bromophenyl)-5-methyl-1H-pyrazole
CID 1487504
2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-5-methyl-1H-pyrazol-3-one
CID 1069858
4-(4-bromophenyl)-5-(3-fluorophenyl)-2-methyl-1,3-oxazole
CID 22316852

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one?
The IUPAC name of 4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one (CID 132519837) is 4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one.
What is the SMILES notation for 4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one?
The canonical SMILES for 4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one is Cc1nc(-c2ccc(Br)cc2)cc(=O)o1.
What is the InChIKey of 4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one?
The InChIKey is FXHUMQBXZFISKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c1-7-13-10(6-11(14)15-7)8-2-4-9(12)5-3-8/h2-6H,1H3.
What are the key properties of 4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one?
4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one has a molecular weight of 266.09 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one is sourced from PubChem (CID 132519837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).