2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazole

C7H6F3NO — CID 144898580

IUPAC2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1coc(C2CC2)n1
InChIInChI=1S/C7H6F3NO/c8-7(9,10)5-3-12-6(11-5)4-1-2-4/h3-4H,1-2H2
InChIKeyLHWFQUKZMGHLQO-UHFFFAOYSA-N
MW177.12 g/mol
LogP2.57
Rot. Bonds1

About 2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazole

2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 144898580) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID144898580
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1coc(C2CC2)n1
InChIInChI=1S/C7H6F3NO/c8-7(9,10)5-3-12-6(11-5)4-1-2-4/h3-4H,1-2H2
InChIKeyLHWFQUKZMGHLQO-UHFFFAOYSA-N
XLogP2.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-4-(trifluoromethyl)-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 2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazole (CID 144898580) is 2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazole is FC(F)(F)c1coc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is LHWFQUKZMGHLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-7(9,10)5-3-12-6(11-5)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazole?
2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 177.12 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 144898580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).