2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium

C10H7BrClNO2Pd — CID 175907595

IUPAC2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium
SMILESCOc1cc(-c2ncco2)c(Br)cc1Cl.[Pd]
InChIInChI=1S/C10H7BrClNO2.Pd/c1-14-9-4-6(7(11)5-8(9)12)10-13-2-3-15-10;/h2-5H,1H3;
InChIKeyKPPLLJWMDLUXAW-UHFFFAOYSA-N
MW394.95 g/mol
LogP3.76
Rot. Bonds2

About 2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium

2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium (PubChem CID 175907595) has the molecular formula C10H7BrClNO2Pd and a molecular weight of 394.95 g/mol. Its IUPAC name is 2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium.

Molecular Properties

Compound Name2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium
PubChem CID175907595
Molecular FormulaC10H7BrClNO2Pd
Molecular Weight394.95 g/mol
Exact Mass392.84
IUPAC Name2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium
SMILESCOc1cc(-c2ncco2)c(Br)cc1Cl.[Pd]
InChIInChI=1S/C10H7BrClNO2.Pd/c1-14-9-4-6(7(11)5-8(9)12)10-13-2-3-15-10;/h2-5H,1H3;
InChIKeyKPPLLJWMDLUXAW-UHFFFAOYSA-N
XLogP3.76
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-chloro-5-methoxyphenyl)furan
CID 168525902
2-(5-bromo-2-chlorophenyl)-1,3-oxazole
CID 130839908
2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 169030760
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
2-methoxy-4-(1,3-oxazol-2-yl)aniline
CID 82468773
2-bromo-5-chloro-4-methoxyphenol
CID 84700319
2-(5-methoxy-2-propan-2-ylphenyl)-1,3-oxazole
CID 59772468
2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
CID 83269021
4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117387074
4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole
CID 10767664
5-chloro-2-(1,3-oxazol-2-yl)aniline
CID 59485553
2-bromo-4-chloro-5-methoxybenzamide
CID 68605828

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium?
The IUPAC name of 2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium (CID 175907595) is 2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium.
What is the SMILES notation for 2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium?
The canonical SMILES for 2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium is COc1cc(-c2ncco2)c(Br)cc1Cl.[Pd].
What is the InChIKey of 2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium?
The InChIKey is KPPLLJWMDLUXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO2.Pd/c1-14-9-4-6(7(11)5-8(9)12)10-13-2-3-15-10;/h2-5H,1H3;.
What are the key properties of 2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium?
2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium has a molecular weight of 394.95 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium is sourced from PubChem (CID 175907595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).