5-(2-cyclobutylethyl)-1,2,4-oxadiazol-3-amine

C8H13N3O — CID 146448488

IUPAC5-(2-cyclobutylethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(CCC2CCC2)n1
InChIInChI=1S/C8H13N3O/c9-8-10-7(12-11-8)5-4-6-2-1-3-6/h6H,1-5H2,(H2,9,11)
InChIKeySPYLZZPOLPUVLJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.38
Rot. Bonds3

About 5-(2-cyclobutylethyl)-1,2,4-oxadiazol-3-amine

5-(2-cyclobutylethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 146448488) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-(2-cyclobutylethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2-cyclobutylethyl)-1,2,4-oxadiazol-3-amine
PubChem CID146448488
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-(2-cyclobutylethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(CCC2CCC2)n1
InChIInChI=1S/C8H13N3O/c9-8-10-7(12-11-8)5-4-6-2-1-3-6/h6H,1-5H2,(H2,9,11)
InChIKeySPYLZZPOLPUVLJ-UHFFFAOYSA-N
XLogP1.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutylethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2-cyclobutylethyl)-1,2,4-oxadiazol-3-amine (CID 146448488) is 5-(2-cyclobutylethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2-cyclobutylethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2-cyclobutylethyl)-1,2,4-oxadiazol-3-amine is Nc1noc(CCC2CCC2)n1.
What is the InChIKey of 5-(2-cyclobutylethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is SPYLZZPOLPUVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-8-10-7(12-11-8)5-4-6-2-1-3-6/h6H,1-5H2,(H2,9,11).
What are the key properties of 5-(2-cyclobutylethyl)-1,2,4-oxadiazol-3-amine?
5-(2-cyclobutylethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 167.21 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutylethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 146448488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).