3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C11H11FN4O2 — CID 79719778

IUPAC3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1(c2nc(-c3ccc(F)cn3)no2)CCOC1
InChIInChI=1S/C11H11FN4O2/c12-7-1-2-8(14-5-7)9-15-10(18-16-9)11(13)3-4-17-6-11/h1-2,5H,3-4,6,13H2
InChIKeyKCQYIWYYTXGLBN-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.85
Rot. Bonds2

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

3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 79719778) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID79719778
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1(c2nc(-c3ccc(F)cn3)no2)CCOC1
InChIInChI=1S/C11H11FN4O2/c12-7-1-2-8(14-5-7)9-15-10(18-16-9)11(13)3-4-17-6-11/h1-2,5H,3-4,6,13H2
InChIKeyKCQYIWYYTXGLBN-UHFFFAOYSA-N
XLogP0.85
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 79719778) is 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is NC1(c2nc(-c3ccc(F)cn3)no2)CCOC1.
What is the InChIKey of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is KCQYIWYYTXGLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c12-7-1-2-8(14-5-7)9-15-10(18-16-9)11(13)3-4-17-6-11/h1-2,5H,3-4,6,13H2.
What are the key properties of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 250.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 79719778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).