5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole

C12H10BrClFNO — CID 65179881

IUPAC5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
SMILESFc1ccc(Br)c(-c2cnc(CCCCl)o2)c1
InChIInChI=1S/C12H10BrClFNO/c13-10-4-3-8(15)6-9(10)11-7-16-12(17-11)2-1-5-14/h3-4,6-7H,1-2,5H2
InChIKeyIIEUOMQXGHAYAS-UHFFFAOYSA-N
MW318.57 g/mol
LogP4.41
Rot. Bonds4

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

5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole (PubChem CID 65179881) has the molecular formula C12H10BrClFNO and a molecular weight of 318.57 g/mol. Its IUPAC name is 5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
PubChem CID65179881
Molecular FormulaC12H10BrClFNO
Molecular Weight318.57 g/mol
Exact Mass316.96
IUPAC Name5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
SMILESFc1ccc(Br)c(-c2cnc(CCCCl)o2)c1
InChIInChI=1S/C12H10BrClFNO/c13-10-4-3-8(15)6-9(10)11-7-16-12(17-11)2-1-5-14/h3-4,6-7H,1-2,5H2
InChIKeyIIEUOMQXGHAYAS-UHFFFAOYSA-N
XLogP4.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.57
LogP ≤ 54.41
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-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole?
The IUPAC name of 5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole (CID 65179881) is 5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole.
What is the SMILES notation for 5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole?
The canonical SMILES for 5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole is Fc1ccc(Br)c(-c2cnc(CCCCl)o2)c1.
What is the InChIKey of 5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole?
The InChIKey is IIEUOMQXGHAYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNO/c13-10-4-3-8(15)6-9(10)11-7-16-12(17-11)2-1-5-14/h3-4,6-7H,1-2,5H2.
What are the key properties of 5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole?
5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole has a molecular weight of 318.57 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole is sourced from PubChem (CID 65179881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).