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

C12H15FN4O — CID 79804546

IUPAC3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C12H15FN4O/c1-3-12(14,4-2)11-16-10(17-18-11)9-6-5-8(13)7-15-9/h5-7H,3-4,14H2,1-2H3
InChIKeyWCWCDRPRUCEXMC-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.24
Rot. Bonds4

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

3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine (PubChem CID 79804546) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
PubChem CID79804546
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C12H15FN4O/c1-3-12(14,4-2)11-16-10(17-18-11)9-6-5-8(13)7-15-9/h5-7H,3-4,14H2,1-2H3
InChIKeyWCWCDRPRUCEXMC-UHFFFAOYSA-N
XLogP2.24
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]pentan-3-amine?
The IUPAC name of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine (CID 79804546) is 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine.
What is the SMILES notation for 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The canonical SMILES for 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine is CCC(N)(CC)c1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The InChIKey is WCWCDRPRUCEXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-3-12(14,4-2)11-16-10(17-18-11)9-6-5-8(13)7-15-9/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine has a molecular weight of 250.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine is sourced from PubChem (CID 79804546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).