5-ethyl-1,2,4-oxadiazol-3-amine

C4H7N3O — CID 15209807

IUPAC5-ethyl-1,2,4-oxadiazol-3-amine
SMILESCCc1nc(N)no1
InChIInChI=1S/C4H7N3O/c1-2-3-6-4(5)7-8-3/h2H2,1H3,(H2,5,7)
InChIKeyOMFADAFZDYXVOK-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.21
Rot. Bonds1

About 5-ethyl-1,2,4-oxadiazol-3-amine

5-ethyl-1,2,4-oxadiazol-3-amine (PubChem CID 15209807) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 5-ethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-ethyl-1,2,4-oxadiazol-3-amine
PubChem CID15209807
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name5-ethyl-1,2,4-oxadiazol-3-amine
SMILESCCc1nc(N)no1
InChIInChI=1S/C4H7N3O/c1-2-3-6-4(5)7-8-3/h2H2,1H3,(H2,5,7)
InChIKeyOMFADAFZDYXVOK-UHFFFAOYSA-N
XLogP0.21
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-ethyl-1,2,4-oxadiazol-3-amine (CID 15209807) is 5-ethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-ethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-ethyl-1,2,4-oxadiazol-3-amine is CCc1nc(N)no1.
What is the InChIKey of 5-ethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is OMFADAFZDYXVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-2-3-6-4(5)7-8-3/h2H2,1H3,(H2,5,7).
What are the key properties of 5-ethyl-1,2,4-oxadiazol-3-amine?
5-ethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 113.12 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 15209807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).