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

C17H12BrNO2 — CID 132608145

IUPAC2-(4-bromophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one
SMILESCc1cccc(-c2cc(=O)oc(-c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C17H12BrNO2/c1-11-3-2-4-13(9-11)15-10-16(20)21-17(19-15)12-5-7-14(18)8-6-12/h2-10H,1H3
InChIKeyZVFURORFDKUKLK-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.44
Rot. Bonds2

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

2-(4-bromophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one (PubChem CID 132608145) has the molecular formula C17H12BrNO2 and a molecular weight of 342.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one
PubChem CID132608145
Molecular FormulaC17H12BrNO2
Molecular Weight342.19 g/mol
Exact Mass341.01
IUPAC Name2-(4-bromophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one
SMILESCc1cccc(-c2cc(=O)oc(-c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C17H12BrNO2/c1-11-3-2-4-13(9-11)15-10-16(20)21-17(19-15)12-5-7-14(18)8-6-12/h2-10H,1H3
InChIKeyZVFURORFDKUKLK-UHFFFAOYSA-N
XLogP4.44
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-4-(4-methyl-3-nitrophenyl)-1,3-oxazin-6-one
CID 1345437
4-(4-bromophenyl)-2-methyl-1,3-oxazin-6-one
CID 132519837
2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one
CID 1346375
7-bromo-2-(3-methylphenyl)-1,3-benzoxazole
CID 82233864
5-bromo-2-(3-methylphenyl)-1,3-benzoxazol-7-amine
CID 82095595
4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18825595
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
2-amino-6-(4-bromophenyl)-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 3395709
2,6-bis(3-methylphenyl)-4-[4-(3-phenylphenyl)phenyl]pyridine;2,6-bis(3-methylphenyl)-4-(4-phenylphenyl)pyridine;4-[4-(3,5-diphenylphenyl)phenyl]-2,6-bis(3-methylphenyl)pyridine
CID 157407374
2-(4-bromophenyl)-4-(4-methylphenyl)-6-phenylpyridine
CID 141475608
2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine
CID 139269948
6-(4-bromophenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077308

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one?
The IUPAC name of 2-(4-bromophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one (CID 132608145) is 2-(4-bromophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one.
What is the SMILES notation for 2-(4-bromophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one?
The canonical SMILES for 2-(4-bromophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one is Cc1cccc(-c2cc(=O)oc(-c3ccc(Br)cc3)n2)c1.
What is the InChIKey of 2-(4-bromophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one?
The InChIKey is ZVFURORFDKUKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO2/c1-11-3-2-4-13(9-11)15-10-16(20)21-17(19-15)12-5-7-14(18)8-6-12/h2-10H,1H3.
What are the key properties of 2-(4-bromophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one?
2-(4-bromophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one has a molecular weight of 342.19 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(3-methylphenyl)-1,3-oxazin-6-one is sourced from PubChem (CID 132608145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).