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

C14H17ClF3NO2 — CID 118422165

IUPAC4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)cyclohexyl]-1,2-oxazole
SMILESFC(F)(F)OC1CCCCC1c1noc(C2CC2)c1CCl
InChIInChI=1S/C14H17ClF3NO2/c15-7-10-12(19-21-13(10)8-5-6-8)9-3-1-2-4-11(9)20-14(16,17)18/h8-9,11H,1-7H2
InChIKeyFKNBHISBCWPKRH-UHFFFAOYSA-N
MW323.74 g/mol
LogP4.85
Rot. Bonds4

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

4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)cyclohexyl]-1,2-oxazole (PubChem CID 118422165) has the molecular formula C14H17ClF3NO2 and a molecular weight of 323.74 g/mol. Its IUPAC name is 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)cyclohexyl]-1,2-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)cyclohexyl]-1,2-oxazole
PubChem CID118422165
Molecular FormulaC14H17ClF3NO2
Molecular Weight323.74 g/mol
Exact Mass323.09
IUPAC Name4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)cyclohexyl]-1,2-oxazole
SMILESFC(F)(F)OC1CCCCC1c1noc(C2CC2)c1CCl
InChIInChI=1S/C14H17ClF3NO2/c15-7-10-12(19-21-13(10)8-5-6-8)9-3-1-2-4-11(9)20-14(16,17)18/h8-9,11H,1-7H2
InChIKeyFKNBHISBCWPKRH-UHFFFAOYSA-N
XLogP4.85
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)cyclohexyl]-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-(trifluoromethoxy)cyclohexyl]-1,2-oxazole?
The IUPAC name of 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)cyclohexyl]-1,2-oxazole (CID 118422165) is 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)cyclohexyl]-1,2-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)cyclohexyl]-1,2-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)cyclohexyl]-1,2-oxazole is FC(F)(F)OC1CCCCC1c1noc(C2CC2)c1CCl.
What is the InChIKey of 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)cyclohexyl]-1,2-oxazole?
The InChIKey is FKNBHISBCWPKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO2/c15-7-10-12(19-21-13(10)8-5-6-8)9-3-1-2-4-11(9)20-14(16,17)18/h8-9,11H,1-7H2.
What are the key properties of 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)cyclohexyl]-1,2-oxazole?
4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)cyclohexyl]-1,2-oxazole has a molecular weight of 323.74 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)cyclohexyl]-1,2-oxazole is sourced from PubChem (CID 118422165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).