3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[1.1.1]pentan-1-amine

C12H14F3N3O2 — CID 137491377

IUPAC3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)20-7-1-6(2-7)8-17-18-9(19-8)10-3-11(16,4-10)5-10/h6-7H,1-5,16H2
InChIKeyUXOIIDGMQXYLTB-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.98
Rot. Bonds3

About 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[1.1.1]pentan-1-amine

3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[1.1.1]pentan-1-amine (PubChem CID 137491377) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[1.1.1]pentan-1-amine
PubChem CID137491377
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)20-7-1-6(2-7)8-17-18-9(19-8)10-3-11(16,4-10)5-10/h6-7H,1-5,16H2
InChIKeyUXOIIDGMQXYLTB-UHFFFAOYSA-N
XLogP1.98
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[1.1.1]pentan-1-amine (CID 137491377) is 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[1.1.1]pentan-1-amine is NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2.
What is the InChIKey of 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[1.1.1]pentan-1-amine?
The InChIKey is UXOIIDGMQXYLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)20-7-1-6(2-7)8-17-18-9(19-8)10-3-11(16,4-10)5-10/h6-7H,1-5,16H2.
What are the key properties of 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[1.1.1]pentan-1-amine?
3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[1.1.1]pentan-1-amine has a molecular weight of 289.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 137491377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).