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

C7H13N3O — CID 62594478

IUPAC3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(CC)no1
InChIInChI=1S/C7H13N3O/c1-3-5-8-7-9-6(4-2)10-11-7/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyGBEJLAADKKIKAD-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.45
Rot. Bonds4

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

3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine (PubChem CID 62594478) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine
PubChem CID62594478
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(CC)no1
InChIInChI=1S/C7H13N3O/c1-3-5-8-7-9-6(4-2)10-11-7/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyGBEJLAADKKIKAD-UHFFFAOYSA-N
XLogP1.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine (CID 62594478) is 3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine is CCCNc1nc(CC)no1.
What is the InChIKey of 3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine?
The InChIKey is GBEJLAADKKIKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-5-8-7-9-6(4-2)10-11-7/h3-5H2,1-2H3,(H,8,9,10).
What are the key properties of 3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine?
3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine has a molecular weight of 155.20 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62594478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).