4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole

C11H7ClF3NO — CID 54888251

IUPAC4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccccc1-c1nc(CCl)co1
InChIInChI=1S/C11H7ClF3NO/c12-5-7-6-17-10(16-7)8-3-1-2-4-9(8)11(13,14)15/h1-4,6H,5H2
InChIKeyBSPHSJDYNMUDNQ-UHFFFAOYSA-N
MW261.63 g/mol
LogP4.10
Rot. Bonds2

About 4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole

4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 54888251) has the molecular formula C11H7ClF3NO and a molecular weight of 261.63 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID54888251
Molecular FormulaC11H7ClF3NO
Molecular Weight261.63 g/mol
Exact Mass261.02
IUPAC Name4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccccc1-c1nc(CCl)co1
InChIInChI=1S/C11H7ClF3NO/c12-5-7-6-17-10(16-7)8-3-1-2-4-9(8)11(13,14)15/h1-4,6H,5H2
InChIKeyBSPHSJDYNMUDNQ-UHFFFAOYSA-N
XLogP4.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.63
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole (CID 54888251) is 4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole is FC(F)(F)c1ccccc1-c1nc(CCl)co1.
What is the InChIKey of 4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is BSPHSJDYNMUDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO/c12-5-7-6-17-10(16-7)8-3-1-2-4-9(8)11(13,14)15/h1-4,6H,5H2.
What are the key properties of 4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole?
4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 261.63 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 54888251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).