4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole

C9H3Br2Cl2NO — CID 131867562

IUPAC4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole
SMILESClc1cccc(Cl)c1-c1noc(Br)c1Br
InChIInChI=1S/C9H3Br2Cl2NO/c10-7-8(14-15-9(7)11)6-4(12)2-1-3-5(6)13/h1-3H
InChIKeyBIJNXCCFPDFMFY-UHFFFAOYSA-N
MW371.84 g/mol
LogP5.17
Rot. Bonds1

About 4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole

4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole (PubChem CID 131867562) has the molecular formula C9H3Br2Cl2NO and a molecular weight of 371.84 g/mol. Its IUPAC name is 4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole
PubChem CID131867562
Molecular FormulaC9H3Br2Cl2NO
Molecular Weight371.84 g/mol
Exact Mass368.80
IUPAC Name4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole
SMILESClc1cccc(Cl)c1-c1noc(Br)c1Br
InChIInChI=1S/C9H3Br2Cl2NO/c10-7-8(14-15-9(7)11)6-4(12)2-1-3-5(6)13/h1-3H
InChIKeyBIJNXCCFPDFMFY-UHFFFAOYSA-N
XLogP5.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.84
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid
CID 130311618
3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 112572079
3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane
CID 142343393
2-bromo-1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 3251399
3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine
CID 2726389
3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole
CID 134400417
4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 83913780
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
CID 2805168
4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine
CID 114552818
3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335610
4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine
CID 43335560
3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 43335687

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole?
The IUPAC name of 4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole (CID 131867562) is 4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole.
What is the SMILES notation for 4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole?
The canonical SMILES for 4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole is Clc1cccc(Cl)c1-c1noc(Br)c1Br.
What is the InChIKey of 4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole?
The InChIKey is BIJNXCCFPDFMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Br2Cl2NO/c10-7-8(14-15-9(7)11)6-4(12)2-1-3-5(6)13/h1-3H.
What are the key properties of 4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole?
4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole has a molecular weight of 371.84 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole is sourced from PubChem (CID 131867562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).