dibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole

C9H17Br2NOPd — CID 87869832

IUPACdibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole
SMILESBr[Pd]Br.CCCC1=NC(CCC)CO1
InChIInChI=1S/C9H17NO.2BrH.Pd/c1-3-5-8-7-11-9(10-8)6-4-2;;;/h8H,3-7H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyZTZSUKYLRDCGAV-UHFFFAOYSA-L
MW421.47 g/mol
LogP4.07
Rot. Bonds4

About dibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole

dibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole (PubChem CID 87869832) has the molecular formula C9H17Br2NOPd and a molecular weight of 421.47 g/mol. Its IUPAC name is dibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Namedibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole
PubChem CID87869832
Molecular FormulaC9H17Br2NOPd
Molecular Weight421.47 g/mol
Exact Mass418.87
IUPAC Namedibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole
SMILESBr[Pd]Br.CCCC1=NC(CCC)CO1
InChIInChI=1S/C9H17NO.2BrH.Pd/c1-3-5-8-7-11-9(10-8)6-4-2;;;/h8H,3-7H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyZTZSUKYLRDCGAV-UHFFFAOYSA-L
XLogP4.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of dibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole (CID 87869832) is dibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for dibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for dibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole is Br[Pd]Br.CCCC1=NC(CCC)CO1.
What is the InChIKey of dibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole?
The InChIKey is ZTZSUKYLRDCGAV-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H17NO.2BrH.Pd/c1-3-5-8-7-11-9(10-8)6-4-2;;;/h8H,3-7H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole?
dibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole has a molecular weight of 421.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 87869832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).