5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide

C11H11F3N2O2 — CID 154721744

IUPAC5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C11H11F3N2O2/c1-6-7(2-15-18-6)8(17)16-10-3-9(4-10,5-10)11(12,13)14/h2H,3-5H2,1H3,(H,16,17)
InChIKeyKNLSYUSDWPLRCW-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.20
Rot. Bonds2

About 5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide (PubChem CID 154721744) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide
PubChem CID154721744
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C11H11F3N2O2/c1-6-7(2-15-18-6)8(17)16-10-3-9(4-10,5-10)11(12,13)14/h2H,3-5H2,1H3,(H,16,17)
InChIKeyKNLSYUSDWPLRCW-UHFFFAOYSA-N
XLogP2.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide 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 5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide (CID 154721744) is 5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NC12CC(C(F)(F)F)(C1)C2.
What is the InChIKey of 5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide?
The InChIKey is KNLSYUSDWPLRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-6-7(2-15-18-6)8(17)16-10-3-9(4-10,5-10)11(12,13)14/h2H,3-5H2,1H3,(H,16,17).
What are the key properties of 5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide has a molecular weight of 260.21 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 154721744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).