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

C15H13FN4O — CID 83118930

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCC(Nc1cccc(-c2nnco2)c1)c1ccc(F)cn1
InChIInChI=1S/C15H13FN4O/c1-10(14-6-5-12(16)8-17-14)19-13-4-2-3-11(7-13)15-20-18-9-21-15/h2-10,19H,1H3
InChIKeyXQSVYKJCJAMQPE-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.44
Rot. Bonds4

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

N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 83118930) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID83118930
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCC(Nc1cccc(-c2nnco2)c1)c1ccc(F)cn1
InChIInChI=1S/C15H13FN4O/c1-10(14-6-5-12(16)8-17-14)19-13-4-2-3-11(7-13)15-20-18-9-21-15/h2-10,19H,1H3
InChIKeyXQSVYKJCJAMQPE-UHFFFAOYSA-N
XLogP3.44
TPSA63.84 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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline
CID 43206434
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
3-(1,3,4-oxadiazol-2-yl)-N-(1-pyridin-4-ylethyl)aniline
CID 43206444
2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206442
3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993449
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43670240
3-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206455
N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206435
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
CID 65333020
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 63751911
N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 115928816

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline (CID 83118930) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline is CC(Nc1cccc(-c2nnco2)c1)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is XQSVYKJCJAMQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-10(14-6-5-12(16)8-17-14)19-13-4-2-3-11(7-13)15-20-18-9-21-15/h2-10,19H,1H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 284.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 83118930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).