3-tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole

C10H14F3NO — CID 71263687

IUPAC3-tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole
SMILESCCc1onc(C(C)(C)C)c1C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-5-6-7(10(11,12)13)8(14-15-6)9(2,3)4/h5H2,1-4H3
InChIKeyLVSMEHZCSPSADL-UHFFFAOYSA-N
MW221.22 g/mol
LogP3.55
Rot. Bonds1

About 3-tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole

3-tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole (PubChem CID 71263687) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole
PubChem CID71263687
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name3-tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole
SMILESCCc1onc(C(C)(C)C)c1C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-5-6-7(10(11,12)13)8(14-15-6)9(2,3)4/h5H2,1-4H3
InChIKeyLVSMEHZCSPSADL-UHFFFAOYSA-N
XLogP3.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-5-ethyl-4-(trifluoromethyl)-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 3-tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole (CID 71263687) is 3-tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole is CCc1onc(C(C)(C)C)c1C(F)(F)F.
What is the InChIKey of 3-tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole?
The InChIKey is LVSMEHZCSPSADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-5-6-7(10(11,12)13)8(14-15-6)9(2,3)4/h5H2,1-4H3.
What are the key properties of 3-tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole?
3-tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole has a molecular weight of 221.22 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-ethyl-4-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 71263687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).