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

C5H9N3O — CID 43559118

IUPAC2-(1,2,4-oxadiazol-3-yl)propan-2-amine
SMILESCC(C)(N)c1ncon1
InChIInChI=1S/C5H9N3O/c1-5(2,6)4-7-3-9-8-4/h3H,6H2,1-2H3
InChIKeyISIPXOYOBZPPHQ-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.26
Rot. Bonds1

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

2-(1,2,4-oxadiazol-3-yl)propan-2-amine (PubChem CID 43559118) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-3-yl)propan-2-amine
PubChem CID43559118
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-(1,2,4-oxadiazol-3-yl)propan-2-amine
SMILESCC(C)(N)c1ncon1
InChIInChI=1S/C5H9N3O/c1-5(2,6)4-7-3-9-8-4/h3H,6H2,1-2H3
InChIKeyISIPXOYOBZPPHQ-UHFFFAOYSA-N
XLogP0.26
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-3-yl)propan-2-amine?
The IUPAC name of 2-(1,2,4-oxadiazol-3-yl)propan-2-amine (CID 43559118) is 2-(1,2,4-oxadiazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(1,2,4-oxadiazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(1,2,4-oxadiazol-3-yl)propan-2-amine is CC(C)(N)c1ncon1.
What is the InChIKey of 2-(1,2,4-oxadiazol-3-yl)propan-2-amine?
The InChIKey is ISIPXOYOBZPPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-5(2,6)4-7-3-9-8-4/h3H,6H2,1-2H3.
What are the key properties of 2-(1,2,4-oxadiazol-3-yl)propan-2-amine?
2-(1,2,4-oxadiazol-3-yl)propan-2-amine has a molecular weight of 127.15 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-3-yl)propan-2-amine is sourced from PubChem (CID 43559118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).