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

C12H15FN4O — CID 79718518

IUPACN-[1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C12H15FN4O/c1-3-6-14-8(2)12-16-11(17-18-12)10-5-4-9(13)7-15-10/h4-5,7-8,14H,3,6H2,1-2H3
InChIKeyYDAMKGVOHPQCNZ-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.33
Rot. Bonds5

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

N-[1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine (PubChem CID 79718518) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is N-[1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
PubChem CID79718518
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC NameN-[1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C12H15FN4O/c1-3-6-14-8(2)12-16-11(17-18-12)10-5-4-9(13)7-15-10/h4-5,7-8,14H,3,6H2,1-2H3
InChIKeyYDAMKGVOHPQCNZ-UHFFFAOYSA-N
XLogP2.33
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine (CID 79718518) is N-[1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of N-[1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is YDAMKGVOHPQCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-3-6-14-8(2)12-16-11(17-18-12)10-5-4-9(13)7-15-10/h4-5,7-8,14H,3,6H2,1-2H3.
What are the key properties of N-[1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
N-[1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 250.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79718518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).