1-(5-fluoro-3-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

C10H11FN4O — CID 106392510

IUPAC1-(5-fluoro-3-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESCC(NCc1ncon1)c1cncc(F)c1
InChIInChI=1S/C10H11FN4O/c1-7(8-2-9(11)4-12-3-8)13-5-10-14-6-16-15-10/h2-4,6-7,13H,5H2,1H3
InChIKeyKGJNJALQZAVFRH-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.45
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

1-(5-fluoro-3-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (PubChem CID 106392510) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
PubChem CID106392510
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name1-(5-fluoro-3-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESCC(NCc1ncon1)c1cncc(F)c1
InChIInChI=1S/C10H11FN4O/c1-7(8-2-9(11)4-12-3-8)13-5-10-14-6-16-15-10/h2-4,6-7,13H,5H2,1H3
InChIKeyKGJNJALQZAVFRH-UHFFFAOYSA-N
XLogP1.45
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (CID 106392510) is 1-(5-fluoro-3-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is CC(NCc1ncon1)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The InChIKey is KGJNJALQZAVFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-7(8-2-9(11)4-12-3-8)13-5-10-14-6-16-15-10/h2-4,6-7,13H,5H2,1H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
1-(5-fluoro-3-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine has a molecular weight of 222.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 106392510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).