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

C15H13FN4O — CID 79705190

IUPAC2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESNCC(c1ccccc1)c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C15H13FN4O/c16-11-6-7-13(18-9-11)14-19-15(21-20-14)12(8-17)10-4-2-1-3-5-10/h1-7,9,12H,8,17H2
InChIKeyLZCJHSRNAJDBHR-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.36
Rot. Bonds4

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

2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (PubChem CID 79705190) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.

Molecular Properties

Compound Name2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
PubChem CID79705190
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESNCC(c1ccccc1)c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C15H13FN4O/c16-11-6-7-13(18-9-11)14-19-15(21-20-14)12(8-17)10-4-2-1-3-5-10/h1-7,9,12H,8,17H2
InChIKeyLZCJHSRNAJDBHR-UHFFFAOYSA-N
XLogP2.36
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The IUPAC name of 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (CID 79705190) is 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.
What is the SMILES notation for 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The canonical SMILES for 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is NCC(c1ccccc1)c1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The InChIKey is LZCJHSRNAJDBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-11-6-7-13(18-9-11)14-19-15(21-20-14)12(8-17)10-4-2-1-3-5-10/h1-7,9,12H,8,17H2.
What are the key properties of 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine has a molecular weight of 284.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is sourced from PubChem (CID 79705190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).