2-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine

C7H13N3O — CID 91382204

IUPAC2-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCCc1nnc(C(C)CN)o1
InChIInChI=1S/C7H13N3O/c1-3-6-9-10-7(11-6)5(2)4-8/h5H,3-4,8H2,1-2H3
InChIKeyJKAOJQLAHRHXQU-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.69
Rot. Bonds3

About 2-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine

2-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine (PubChem CID 91382204) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine
PubChem CID91382204
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCCc1nnc(C(C)CN)o1
InChIInChI=1S/C7H13N3O/c1-3-6-9-10-7(11-6)5(2)4-8/h5H,3-4,8H2,1-2H3
InChIKeyJKAOJQLAHRHXQU-UHFFFAOYSA-N
XLogP0.69
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The IUPAC name of 2-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine (CID 91382204) is 2-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The canonical SMILES for 2-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine is CCc1nnc(C(C)CN)o1.
What is the InChIKey of 2-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The InChIKey is JKAOJQLAHRHXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-6-9-10-7(11-6)5(2)4-8/h5H,3-4,8H2,1-2H3.
What are the key properties of 2-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
2-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine has a molecular weight of 155.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine is sourced from PubChem (CID 91382204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).