1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C13H14F2N4O2 — CID 120860850

IUPAC1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(-c3ncccc3OCC(F)F)n2)CCC1
InChIInChI=1S/C13H14F2N4O2/c14-9(15)7-20-8-3-1-6-17-10(8)11-18-12(19-21-11)13(16)4-2-5-13/h1,3,6,9H,2,4-5,7,16H2
InChIKeyDVAOVEUOSHKACM-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.11
Rot. Bonds5

About 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120860850) has the molecular formula C13H14F2N4O2 and a molecular weight of 296.28 g/mol. Its IUPAC name is 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120860850
Molecular FormulaC13H14F2N4O2
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(-c3ncccc3OCC(F)F)n2)CCC1
InChIInChI=1S/C13H14F2N4O2/c14-9(15)7-20-8-3-1-6-17-10(8)11-18-12(19-21-11)13(16)4-2-5-13/h1,3,6,9H,2,4-5,7,16H2
InChIKeyDVAOVEUOSHKACM-UHFFFAOYSA-N
XLogP2.11
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120860850) is 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is NC1(c2noc(-c3ncccc3OCC(F)F)n2)CCC1.
What is the InChIKey of 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is DVAOVEUOSHKACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O2/c14-9(15)7-20-8-3-1-6-17-10(8)11-18-12(19-21-11)13(16)4-2-5-13/h1,3,6,9H,2,4-5,7,16H2.
What are the key properties of 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 296.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120860850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).