3-(chloromethyl)-5-(2,5-difluorophenyl)-1,2-oxazole

C10H6ClF2NO — CID 79017614

IUPAC3-(chloromethyl)-5-(2,5-difluorophenyl)-1,2-oxazole
SMILESFc1ccc(F)c(-c2cc(CCl)no2)c1
InChIInChI=1S/C10H6ClF2NO/c11-5-7-4-10(15-14-7)8-3-6(12)1-2-9(8)13/h1-4H,5H2
InChIKeyIVGXCLJCRQWJQB-UHFFFAOYSA-N
MW229.61 g/mol
LogP3.36
Rot. Bonds2

About 3-(chloromethyl)-5-(2,5-difluorophenyl)-1,2-oxazole

3-(chloromethyl)-5-(2,5-difluorophenyl)-1,2-oxazole (PubChem CID 79017614) has the molecular formula C10H6ClF2NO and a molecular weight of 229.61 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(2,5-difluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(chloromethyl)-5-(2,5-difluorophenyl)-1,2-oxazole
PubChem CID79017614
Molecular FormulaC10H6ClF2NO
Molecular Weight229.61 g/mol
Exact Mass229.01
IUPAC Name3-(chloromethyl)-5-(2,5-difluorophenyl)-1,2-oxazole
SMILESFc1ccc(F)c(-c2cc(CCl)no2)c1
InChIInChI=1S/C10H6ClF2NO/c11-5-7-4-10(15-14-7)8-3-6(12)1-2-9(8)13/h1-4H,5H2
InChIKeyIVGXCLJCRQWJQB-UHFFFAOYSA-N
XLogP3.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.61
LogP ≤ 53.36
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-(chloromethyl)-5-(2,5-difluorophenyl)-1,2-oxazole?
The IUPAC name of 3-(chloromethyl)-5-(2,5-difluorophenyl)-1,2-oxazole (CID 79017614) is 3-(chloromethyl)-5-(2,5-difluorophenyl)-1,2-oxazole.
What is the SMILES notation for 3-(chloromethyl)-5-(2,5-difluorophenyl)-1,2-oxazole?
The canonical SMILES for 3-(chloromethyl)-5-(2,5-difluorophenyl)-1,2-oxazole is Fc1ccc(F)c(-c2cc(CCl)no2)c1.
What is the InChIKey of 3-(chloromethyl)-5-(2,5-difluorophenyl)-1,2-oxazole?
The InChIKey is IVGXCLJCRQWJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2NO/c11-5-7-4-10(15-14-7)8-3-6(12)1-2-9(8)13/h1-4H,5H2.
What are the key properties of 3-(chloromethyl)-5-(2,5-difluorophenyl)-1,2-oxazole?
3-(chloromethyl)-5-(2,5-difluorophenyl)-1,2-oxazole has a molecular weight of 229.61 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-(2,5-difluorophenyl)-1,2-oxazole is sourced from PubChem (CID 79017614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).