1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

C11H14N4O — CID 43630127

IUPAC1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCCC(N)c1nc(-c2ccncc2)no1
InChIInChI=1S/C11H14N4O/c1-2-3-9(12)11-14-10(15-16-11)8-4-6-13-7-5-8/h4-7,9H,2-3,12H2,1H3
InChIKeyDMEUZKIEDFIACL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.93
Rot. Bonds4

About 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 43630127) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID43630127
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCCC(N)c1nc(-c2ccncc2)no1
InChIInChI=1S/C11H14N4O/c1-2-3-9(12)11-14-10(15-16-11)8-4-6-13-7-5-8/h4-7,9H,2-3,12H2,1H3
InChIKeyDMEUZKIEDFIACL-UHFFFAOYSA-N
XLogP1.93
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630132
(1R)-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565672
(1R)-1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565674
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 81491985
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832498
(1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565519
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 43630163
(1R)-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832392
(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 93057298
5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
CID 91114628
(1S)-1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107144899
(1R)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832488

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 43630127) is 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is CCCC(N)c1nc(-c2ccncc2)no1.
What is the InChIKey of 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is DMEUZKIEDFIACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-3-9(12)11-14-10(15-16-11)8-4-6-13-7-5-8/h4-7,9H,2-3,12H2,1H3.
What are the key properties of 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 218.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 43630127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).