2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one

C12H10BrNO3 — CID 4246453

IUPAC2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one
SMILESCOc1nc(-c2cccc(Br)c2)oc(=O)c1C
InChIInChI=1S/C12H10BrNO3/c1-7-10(16-2)14-11(17-12(7)15)8-4-3-5-9(13)6-8/h3-6H,1-2H3
InChIKeyAXPFKDXFJXLMBT-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.78
Rot. Bonds2

About 2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one

2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one (PubChem CID 4246453) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one
PubChem CID4246453
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one
SMILESCOc1nc(-c2cccc(Br)c2)oc(=O)c1C
InChIInChI=1S/C12H10BrNO3/c1-7-10(16-2)14-11(17-12(7)15)8-4-3-5-9(13)6-8/h3-6H,1-2H3
InChIKeyAXPFKDXFJXLMBT-UHFFFAOYSA-N
XLogP2.78
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 2-(3-bromophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953612
2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one
CID 2228925
methyl 2-(3-bromophenyl)-1,3-benzoxazole-5-carboxylate
CID 91682443
5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one
CID 24874409
6-bromo-2-(4-methoxyphenyl)-3,1-benzoxazin-4-one
CID 742622
5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid
CID 117222132
3-(3-bromophenyl)-4-methylchromen-2-one
CID 688765
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide
CID 110414855
5-bromo-N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 23989159
1-[2-(3-bromophenyl)-4-methoxy-1,3-thiazol-5-yl]propan-1-one
CID 118609224
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate
CID 20823121

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one?
The IUPAC name of 2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one (CID 4246453) is 2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one.
What is the SMILES notation for 2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one?
The canonical SMILES for 2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one is COc1nc(-c2cccc(Br)c2)oc(=O)c1C.
What is the InChIKey of 2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one?
The InChIKey is AXPFKDXFJXLMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c1-7-10(16-2)14-11(17-12(7)15)8-4-3-5-9(13)6-8/h3-6H,1-2H3.
What are the key properties of 2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one?
2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one has a molecular weight of 296.12 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one is sourced from PubChem (CID 4246453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).