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

C10H11FN4O — CID 64955720

IUPAC1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(-c2ccncc2F)n1
InChIInChI=1S/C10H11FN4O/c1-2-8(12)9-14-10(16-15-9)6-3-4-13-5-7(6)11/h3-5,8H,2,12H2,1H3
InChIKeyFWCHBEZAGUBUEV-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.68
Rot. Bonds3

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

1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 64955720) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID64955720
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(-c2ccncc2F)n1
InChIInChI=1S/C10H11FN4O/c1-2-8(12)9-14-10(16-15-9)6-3-4-13-5-7(6)11/h3-5,8H,2,12H2,1H3
InChIKeyFWCHBEZAGUBUEV-UHFFFAOYSA-N
XLogP1.68
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 64955720) is 1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CCC(N)c1noc(-c2ccncc2F)n1.
What is the InChIKey of 1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is FWCHBEZAGUBUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-2-8(12)9-14-10(16-15-9)6-3-4-13-5-7(6)11/h3-5,8H,2,12H2,1H3.
What are the key properties of 1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 222.22 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 64955720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).