5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole

C11H8BrClFNO — CID 65179983

IUPAC5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole
SMILESCC(Cl)c1ncc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C11H8BrClFNO/c1-6(13)11-15-5-10(16-11)8-3-2-7(12)4-9(8)14/h2-6H,1H3
InChIKeyPORZQHWGXAMZNJ-UHFFFAOYSA-N
MW304.55 g/mol
LogP4.54
Rot. Bonds2

About 5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole

5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole (PubChem CID 65179983) has the molecular formula C11H8BrClFNO and a molecular weight of 304.55 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole
PubChem CID65179983
Molecular FormulaC11H8BrClFNO
Molecular Weight304.55 g/mol
Exact Mass302.95
IUPAC Name5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole
SMILESCC(Cl)c1ncc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C11H8BrClFNO/c1-6(13)11-15-5-10(16-11)8-3-2-7(12)4-9(8)14/h2-6H,1H3
InChIKeyPORZQHWGXAMZNJ-UHFFFAOYSA-N
XLogP4.54
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.55
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole (CID 65179983) is 5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole is CC(Cl)c1ncc(-c2ccc(Br)cc2F)o1.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole?
The InChIKey is PORZQHWGXAMZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNO/c1-6(13)11-15-5-10(16-11)8-3-2-7(12)4-9(8)14/h2-6H,1H3.
What are the key properties of 5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole?
5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole has a molecular weight of 304.55 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole is sourced from PubChem (CID 65179983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).