4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-oxazole

C11H11ClF3NO — CID 67983775

IUPAC4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-oxazole
SMILESFC(F)(F)C1CC1c1noc(C2CC2)c1CCl
InChIInChI=1S/C11H11ClF3NO/c12-4-7-9(6-3-8(6)11(13,14)15)16-17-10(7)5-1-2-5/h5-6,8H,1-4H2
InChIKeyGXLZMFGUAUNMGT-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.96
Rot. Bonds3

About 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-oxazole

4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-oxazole (PubChem CID 67983775) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-oxazole
PubChem CID67983775
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC Name4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-oxazole
SMILESFC(F)(F)C1CC1c1noc(C2CC2)c1CCl
InChIInChI=1S/C11H11ClF3NO/c12-4-7-9(6-3-8(6)11(13,14)15)16-17-10(7)5-1-2-5/h5-6,8H,1-4H2
InChIKeyGXLZMFGUAUNMGT-UHFFFAOYSA-N
XLogP3.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-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)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-oxazole?
The IUPAC name of 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-oxazole (CID 67983775) is 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-oxazole is FC(F)(F)C1CC1c1noc(C2CC2)c1CCl.
What is the InChIKey of 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-oxazole?
The InChIKey is GXLZMFGUAUNMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c12-4-7-9(6-3-8(6)11(13,14)15)16-17-10(7)5-1-2-5/h5-6,8H,1-4H2.
What are the key properties of 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-oxazole?
4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-oxazole has a molecular weight of 265.66 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethyl)cyclopropyl]-1,2-oxazole is sourced from PubChem (CID 67983775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).