1-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C14H15F3N4O2 — CID 120850283

IUPAC1-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)CCCC1
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)8-22-10-4-3-9(7-19-10)11-20-12(21-23-11)13(18)5-1-2-6-13/h3-4,7H,1-2,5-6,8,18H2
InChIKeyVLWYCXGSBUNVHA-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.80
Rot. Bonds4

About 1-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120850283) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120850283
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name1-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)CCCC1
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)8-22-10-4-3-9(7-19-10)11-20-12(21-23-11)13(18)5-1-2-6-13/h3-4,7H,1-2,5-6,8,18H2
InChIKeyVLWYCXGSBUNVHA-UHFFFAOYSA-N
XLogP2.80
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120850283) is 1-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)CCCC1.
What is the InChIKey of 1-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is VLWYCXGSBUNVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c15-14(16,17)8-22-10-4-3-9(7-19-10)11-20-12(21-23-11)13(18)5-1-2-6-13/h3-4,7H,1-2,5-6,8,18H2.
What are the key properties of 1-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 328.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120850283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).