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

C12H15FN4O — CID 106395927

IUPAC1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1ncon1)c1ccc(F)cn1
InChIInChI=1S/C12H15FN4O/c1-2-10(11-4-3-9(13)7-15-11)14-6-5-12-16-8-18-17-12/h3-4,7-8,10,14H,2,5-6H2,1H3
InChIKeyHZADRQPTJYOJDL-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.89
Rot. Bonds6

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

1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine (PubChem CID 106395927) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
PubChem CID106395927
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1ncon1)c1ccc(F)cn1
InChIInChI=1S/C12H15FN4O/c1-2-10(11-4-3-9(13)7-15-11)14-6-5-12-16-8-18-17-12/h3-4,7-8,10,14H,2,5-6H2,1H3
InChIKeyHZADRQPTJYOJDL-UHFFFAOYSA-N
XLogP1.89
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103947737
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
CID 112582959
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
CID 113356899
1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395858
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
CID 112583020
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
CID 112583290
1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 112583054
1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112583097
1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine
CID 112583036

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine (CID 106395927) is 1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine is CCC(NCCc1ncon1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The InChIKey is HZADRQPTJYOJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-2-10(11-4-3-9(13)7-15-11)14-6-5-12-16-8-18-17-12/h3-4,7-8,10,14H,2,5-6H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine has a molecular weight of 250.28 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106395927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).