3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]bicyclo[1.1.1]pentan-1-amine

C13H15F3N2O2 — CID 163279593

IUPAC3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3cnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)20-8-1-7(2-8)10-18-3-9(19-10)11-4-12(17,5-11)6-11/h3,7-8H,1-2,4-6,17H2
InChIKeyPMZQTBUZWLQGLU-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.59
Rot. Bonds3

About 3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]bicyclo[1.1.1]pentan-1-amine

3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]bicyclo[1.1.1]pentan-1-amine (PubChem CID 163279593) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]bicyclo[1.1.1]pentan-1-amine
PubChem CID163279593
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3cnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)20-8-1-7(2-8)10-18-3-9(19-10)11-4-12(17,5-11)6-11/h3,7-8H,1-2,4-6,17H2
InChIKeyPMZQTBUZWLQGLU-UHFFFAOYSA-N
XLogP2.59
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]bicyclo[1.1.1]pentan-1-amine (CID 163279593) is 3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]bicyclo[1.1.1]pentan-1-amine is NC12CC(c3cnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2.
What is the InChIKey of 3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]bicyclo[1.1.1]pentan-1-amine?
The InChIKey is PMZQTBUZWLQGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)20-8-1-7(2-8)10-18-3-9(19-10)11-4-12(17,5-11)6-11/h3,7-8H,1-2,4-6,17H2.
What are the key properties of 3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]bicyclo[1.1.1]pentan-1-amine?
3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]bicyclo[1.1.1]pentan-1-amine has a molecular weight of 288.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 163279593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).