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

C15H13FN4O — CID 79704099

IUPACN-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
SMILESFc1ccc(-c2noc(CCNc3ccccc3)n2)nc1
InChIInChI=1S/C15H13FN4O/c16-11-6-7-13(18-10-11)15-19-14(21-20-15)8-9-17-12-4-2-1-3-5-12/h1-7,10,17H,8-9H2
InChIKeyXWLFXSFTFOINLJ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.93
Rot. Bonds5

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

N-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline (PubChem CID 79704099) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline.

Molecular Properties

Compound NameN-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
PubChem CID79704099
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC NameN-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
SMILESFc1ccc(-c2noc(CCNc3ccccc3)n2)nc1
InChIInChI=1S/C15H13FN4O/c16-11-6-7-13(18-10-11)15-19-14(21-20-15)8-9-17-12-4-2-1-3-5-12/h1-7,10,17H,8-9H2
InChIKeyXWLFXSFTFOINLJ-UHFFFAOYSA-N
XLogP2.93
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273782
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
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 79718812
2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 79720214
2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072670
N-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 79720127
3-(5-fluoro-2-pyridinyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 79719984
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60671278
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79712947
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 79718714

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The IUPAC name of N-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline (CID 79704099) is N-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline.
What is the SMILES notation for N-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The canonical SMILES for N-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline is Fc1ccc(-c2noc(CCNc3ccccc3)n2)nc1.
What is the InChIKey of N-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The InChIKey is XWLFXSFTFOINLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-11-6-7-13(18-10-11)15-19-14(21-20-15)8-9-17-12-4-2-1-3-5-12/h1-7,10,17H,8-9H2.
What are the key properties of N-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
N-[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 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline is sourced from PubChem (CID 79704099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).