5-(6-bromo-2,3-dichlorophenyl)-1,3-oxazole

C9H4BrCl2NO — CID 146035111

IUPAC5-(6-bromo-2,3-dichlorophenyl)-1,3-oxazole
SMILESClc1ccc(Br)c(-c2cnco2)c1Cl
InChIInChI=1S/C9H4BrCl2NO/c10-5-1-2-6(11)9(12)8(5)7-3-13-4-14-7/h1-4H
InChIKeyCXTZSUHHBQGLRX-UHFFFAOYSA-N
MW292.95 g/mol
LogP4.41
Rot. Bonds1

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

5-(6-bromo-2,3-dichlorophenyl)-1,3-oxazole (PubChem CID 146035111) has the molecular formula C9H4BrCl2NO and a molecular weight of 292.95 g/mol. Its IUPAC name is 5-(6-bromo-2,3-dichlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(6-bromo-2,3-dichlorophenyl)-1,3-oxazole
PubChem CID146035111
Molecular FormulaC9H4BrCl2NO
Molecular Weight292.95 g/mol
Exact Mass290.89
IUPAC Name5-(6-bromo-2,3-dichlorophenyl)-1,3-oxazole
SMILESClc1ccc(Br)c(-c2cnco2)c1Cl
InChIInChI=1S/C9H4BrCl2NO/c10-5-1-2-6(11)9(12)8(5)7-3-13-4-14-7/h1-4H
InChIKeyCXTZSUHHBQGLRX-UHFFFAOYSA-N
XLogP4.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.95
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-2,3-dichlorophenyl)-1,3-oxazole?
The IUPAC name of 5-(6-bromo-2,3-dichlorophenyl)-1,3-oxazole (CID 146035111) is 5-(6-bromo-2,3-dichlorophenyl)-1,3-oxazole.
What is the SMILES notation for 5-(6-bromo-2,3-dichlorophenyl)-1,3-oxazole?
The canonical SMILES for 5-(6-bromo-2,3-dichlorophenyl)-1,3-oxazole is Clc1ccc(Br)c(-c2cnco2)c1Cl.
What is the InChIKey of 5-(6-bromo-2,3-dichlorophenyl)-1,3-oxazole?
The InChIKey is CXTZSUHHBQGLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrCl2NO/c10-5-1-2-6(11)9(12)8(5)7-3-13-4-14-7/h1-4H.
What are the key properties of 5-(6-bromo-2,3-dichlorophenyl)-1,3-oxazole?
5-(6-bromo-2,3-dichlorophenyl)-1,3-oxazole has a molecular weight of 292.95 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-2,3-dichlorophenyl)-1,3-oxazole is sourced from PubChem (CID 146035111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).