(1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine

C₁₅H₂₁N₃O — CID 104983451

About (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine

(1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine (PubChem CID 104983451) has the molecular formula C₁₅H₂₁N₃O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine.

Molecular Properties

• Compound Name: (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
• PubChem CID: 104983451
• Molecular Formula: C₁₅H₂₁N₃O
• Molecular Weight: 259.35 g/mol
• Exact Mass: 259.17
• IUPAC Name: (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
• SMILES: CCC(C)c1noc([C@@H](N)CCc2ccccc2)n1
• InChI: InChI=1S/C15H21N3O/c1-3-11(2)14-17-15(19-18-14)13(16)10-9-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,16H2,1-2H3/t11?,13-/m0/s1
• InChIKey: QCEVREYRDSAROQ-YUZLPWPTSA-N
• XLogP: 3.22
• TPSA: 64.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	259.35
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine?

The IUPAC name of (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine (CID 104983451) is (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine.

What is the SMILES notation for (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine?

The canonical SMILES for (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine is CCC(C)c1noc([C@@H](N)CCc2ccccc2)n1.

What is the InChIKey of (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine?

The InChIKey is QCEVREYRDSAROQ-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-11(2)14-17-15(19-18-14)13(16)10-9-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,16H2,1-2H3/t11?,13-/m0/s1.

What are the key properties of (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine?

(1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 104983451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 104983451 — identifiers, structure, computed properties (public domain)

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