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

C15H13FN4O — CID 107273782

IUPAC2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
SMILESNc1ccccc1CCc1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C15H13FN4O/c16-11-6-7-13(18-9-11)15-19-14(21-20-15)8-5-10-3-1-2-4-12(10)17/h1-4,6-7,9H,5,8,17H2
InChIKeyGMUWUJSZIPKQKB-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.64
Rot. Bonds4

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

2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline (PubChem CID 107273782) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
PubChem CID107273782
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
SMILESNc1ccccc1CCc1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C15H13FN4O/c16-11-6-7-13(18-9-11)15-19-14(21-20-15)8-5-10-3-1-2-4-12(10)17/h1-4,6-7,9H,5,8,17H2
InChIKeyGMUWUJSZIPKQKB-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 79704099
5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 79720053
6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 79719548
5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 79719710
2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 107273781
2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072670
3-(5-fluoro-2-pyridinyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 79719984
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 79718812
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 79718714
2-[2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273817
3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 79718111
2-[2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273848

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The IUPAC name of 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline (CID 107273782) is 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline.
What is the SMILES notation for 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The canonical SMILES for 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline is Nc1ccccc1CCc1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The InChIKey is GMUWUJSZIPKQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-11-6-7-13(18-9-11)15-19-14(21-20-15)8-5-10-3-1-2-4-12(10)17/h1-4,6-7,9H,5,8,17H2.
What are the key properties of 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline has a molecular weight of 284.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline is sourced from PubChem (CID 107273782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).