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

C11H13FN4O — CID 79719108

IUPACN-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNC(C)c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C11H13FN4O/c1-3-13-7(2)11-15-10(16-17-11)9-5-4-8(12)6-14-9/h4-7,13H,3H2,1-2H3
InChIKeyURZUBNILBFFEHB-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.94
Rot. Bonds4

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

N-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 79719108) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is N-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID79719108
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC NameN-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNC(C)c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C11H13FN4O/c1-3-13-7(2)11-15-10(16-17-11)9-5-4-8(12)6-14-9/h4-7,13H,3H2,1-2H3
InChIKeyURZUBNILBFFEHB-UHFFFAOYSA-N
XLogP1.94
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 79719108) is N-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine is CCNC(C)c1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of N-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is URZUBNILBFFEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-3-13-7(2)11-15-10(16-17-11)9-5-4-8(12)6-14-9/h4-7,13H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 236.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 79719108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).