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

C10H6BrClFNO — CID 131185600

IUPAC3-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,2-oxazole
SMILESFc1c(Br)cccc1-c1cc(CCl)on1
InChIInChI=1S/C10H6BrClFNO/c11-8-3-1-2-7(10(8)13)9-4-6(5-12)15-14-9/h1-4H,5H2
InChIKeyIKLVFRCMXSFENW-UHFFFAOYSA-N
MW290.52 g/mol
LogP3.98
Rot. Bonds2

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

3-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,2-oxazole (PubChem CID 131185600) has the molecular formula C10H6BrClFNO and a molecular weight of 290.52 g/mol. Its IUPAC name is 3-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,2-oxazole
PubChem CID131185600
Molecular FormulaC10H6BrClFNO
Molecular Weight290.52 g/mol
Exact Mass288.93
IUPAC Name3-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,2-oxazole
SMILESFc1c(Br)cccc1-c1cc(CCl)on1
InChIInChI=1S/C10H6BrClFNO/c11-8-3-1-2-7(10(8)13)9-4-6(5-12)15-14-9/h1-4H,5H2
InChIKeyIKLVFRCMXSFENW-UHFFFAOYSA-N
XLogP3.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 53.98
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 3-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,2-oxazole?
The IUPAC name of 3-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,2-oxazole (CID 131185600) is 3-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,2-oxazole.
What is the SMILES notation for 3-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,2-oxazole?
The canonical SMILES for 3-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,2-oxazole is Fc1c(Br)cccc1-c1cc(CCl)on1.
What is the InChIKey of 3-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,2-oxazole?
The InChIKey is IKLVFRCMXSFENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFNO/c11-8-3-1-2-7(10(8)13)9-4-6(5-12)15-14-9/h1-4H,5H2.
What are the key properties of 3-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,2-oxazole?
3-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,2-oxazole has a molecular weight of 290.52 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,2-oxazole is sourced from PubChem (CID 131185600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).