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

C8H15N3O — CID 29277196

IUPAC2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(C)(C)c1noc(CCN)n1
InChIInChI=1S/C8H15N3O/c1-8(2,3)7-10-6(4-5-9)12-11-7/h4-5,9H2,1-3H3
InChIKeyXDYOLMKJSWPLDB-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.87
Rot. Bonds2

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

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 29277196) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID29277196
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(C)(C)c1noc(CCN)n1
InChIInChI=1S/C8H15N3O/c1-8(2,3)7-10-6(4-5-9)12-11-7/h4-5,9H2,1-3H3
InChIKeyXDYOLMKJSWPLDB-UHFFFAOYSA-N
XLogP0.87
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 29277196) is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine is CC(C)(C)c1noc(CCN)n1.
What is the InChIKey of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is XDYOLMKJSWPLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(2,3)7-10-6(4-5-9)12-11-7/h4-5,9H2,1-3H3.
What are the key properties of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine?
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 169.23 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 29277196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).