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

C8H15N3O — CID 43559508

IUPAC2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
SMILESCCCc1nc(C(C)(C)N)no1
InChIInChI=1S/C8H15N3O/c1-4-5-6-10-7(11-12-6)8(2,3)9/h4-5,9H2,1-3H3
InChIKeyXCOKVKFVJAASPU-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.22
Rot. Bonds3

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

2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine (PubChem CID 43559508) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
PubChem CID43559508
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
SMILESCCCc1nc(C(C)(C)N)no1
InChIInChI=1S/C8H15N3O/c1-4-5-6-10-7(11-12-6)8(2,3)9/h4-5,9H2,1-3H3
InChIKeyXCOKVKFVJAASPU-UHFFFAOYSA-N
XLogP1.22
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The IUPAC name of 2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine (CID 43559508) is 2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine is CCCc1nc(C(C)(C)N)no1.
What is the InChIKey of 2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The InChIKey is XCOKVKFVJAASPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-5-6-10-7(11-12-6)8(2,3)9/h4-5,9H2,1-3H3.
What are the key properties of 2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine?
2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine has a molecular weight of 169.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine is sourced from PubChem (CID 43559508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).