magnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide

C15H10BrMgNO — CID 58163092

IUPACmagnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide
SMILES[Br-].[Mg+2].[c-]1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C15H10NO.BrH.Mg/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;;/h1-9,11H;1H;/q-1;;+2/p-1
InChIKeyXDAIGQYWNWYNFQ-UHFFFAOYSA-M
MW324.46 g/mol
LogP0.43
Rot. Bonds2

About magnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide

magnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide (PubChem CID 58163092) has the molecular formula C15H10BrMgNO and a molecular weight of 324.46 g/mol. Its IUPAC name is magnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide.

Molecular Properties

Compound Namemagnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide
PubChem CID58163092
Molecular FormulaC15H10BrMgNO
Molecular Weight324.46 g/mol
Exact Mass322.98
IUPAC Namemagnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide
SMILES[Br-].[Mg+2].[c-]1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C15H10NO.BrH.Mg/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;;/h1-9,11H;1H;/q-1;;+2/p-1
InChIKeyXDAIGQYWNWYNFQ-UHFFFAOYSA-M
XLogP0.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
CID 71327926
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
2-(4-iodophenyl)-5-phenyl-1,3-oxazole
CID 19894925
5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole
CID 71327927
5-phenyl-2-thiophen-2-yl-1,3-oxazole
CID 4303653
palladium(2+);phenylbenzene
CID 58471959
iridium;phenylbenzene
CID 58599975
3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol
CID 142748412
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146
5-phenyl-2-(2-pyridin-2-ylphenyl)-1,3-oxazole
CID 135057630
5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole
CID 59205808
iridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 162475890

Frequently Asked Questions

What is the IUPAC name of magnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide?
The IUPAC name of magnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide (CID 58163092) is magnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide.
What is the SMILES notation for magnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide?
The canonical SMILES for magnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide is [Br-].[Mg+2].[c-]1ccccc1-c1ncc(-c2ccccc2)o1.
What is the InChIKey of magnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide?
The InChIKey is XDAIGQYWNWYNFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H10NO.BrH.Mg/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;;/h1-9,11H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide?
magnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide has a molecular weight of 324.46 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide is sourced from PubChem (CID 58163092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).