4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole

C9H3Cl4NO — CID 131867762

IUPAC4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole
SMILESClc1cccc(-c2noc(Cl)c2Cl)c1Cl
InChIInChI=1S/C9H3Cl4NO/c10-5-3-1-2-4(6(5)11)8-7(12)9(13)15-14-8/h1-3H
InChIKeyOZTIOOFAZMILLO-UHFFFAOYSA-N
MW282.94 g/mol
LogP4.96
Rot. Bonds1

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

4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole (PubChem CID 131867762) has the molecular formula C9H3Cl4NO and a molecular weight of 282.94 g/mol. Its IUPAC name is 4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole
PubChem CID131867762
Molecular FormulaC9H3Cl4NO
Molecular Weight282.94 g/mol
Exact Mass280.90
IUPAC Name4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole
SMILESClc1cccc(-c2noc(Cl)c2Cl)c1Cl
InChIInChI=1S/C9H3Cl4NO/c10-5-3-1-2-4(6(5)11)8-7(12)9(13)15-14-8/h1-3H
InChIKeyOZTIOOFAZMILLO-UHFFFAOYSA-N
XLogP4.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.94
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole?
The IUPAC name of 4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole (CID 131867762) is 4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole.
What is the SMILES notation for 4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole?
The canonical SMILES for 4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole is Clc1cccc(-c2noc(Cl)c2Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole?
The InChIKey is OZTIOOFAZMILLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl4NO/c10-5-3-1-2-4(6(5)11)8-7(12)9(13)15-14-8/h1-3H.
What are the key properties of 4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole?
4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole has a molecular weight of 282.94 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole is sourced from PubChem (CID 131867762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).