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

C8H13N3O — CID 62072169

IUPAC1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCC(N)c1nnc(C2CCC2)o1
InChIInChI=1S/C8H13N3O/c1-5(9)7-10-11-8(12-7)6-3-2-4-6/h5-6H,2-4,9H2,1H3
InChIKeyGQIIXVCOTOMNGG-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.36
Rot. Bonds2

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

1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 62072169) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID62072169
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCC(N)c1nnc(C2CCC2)o1
InChIInChI=1S/C8H13N3O/c1-5(9)7-10-11-8(12-7)6-3-2-4-6/h5-6H,2-4,9H2,1H3
InChIKeyGQIIXVCOTOMNGG-UHFFFAOYSA-N
XLogP1.36
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine (CID 62072169) is 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine is CC(N)c1nnc(C2CCC2)o1.
What is the InChIKey of 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is GQIIXVCOTOMNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(9)7-10-11-8(12-7)6-3-2-4-6/h5-6H,2-4,9H2,1H3.
What are the key properties of 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine?
1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 167.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 62072169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).