2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine

C8H15N3O — CID 79002327

IUPAC2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCCCc1noc(CCN)n1
InChIInChI=1S/C8H15N3O/c1-2-3-4-7-10-8(5-6-9)12-11-7/h2-6,9H2,1H3
InChIKeySAXBVKVCDVXLBU-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.91
Rot. Bonds5

About 2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine

2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 79002327) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID79002327
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCCCc1noc(CCN)n1
InChIInChI=1S/C8H15N3O/c1-2-3-4-7-10-8(5-6-9)12-11-7/h2-6,9H2,1H3
InChIKeySAXBVKVCDVXLBU-UHFFFAOYSA-N
XLogP0.91
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 65428333
3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine
CID 79405630
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814794
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 107273781
(2S)-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpentan-1-amine
CID 104916154
[4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine
CID 67188414
2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 174282518
3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 115340356
1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-one
CID 79412961
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62667403

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 79002327) is 2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine is CCCCc1noc(CCN)n1.
What is the InChIKey of 2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is SAXBVKVCDVXLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-3-4-7-10-8(5-6-9)12-11-7/h2-6,9H2,1H3.
What are the key properties of 2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine?
2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 169.23 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 79002327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).