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

C12H23N3O2 — CID 104637288

IUPAC2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
SMILESCCCCc1nc(C(C)(N)COC(C)C)no1
InChIInChI=1S/C12H23N3O2/c1-5-6-7-10-14-11(15-17-10)12(4,13)8-16-9(2)3/h9H,5-8,13H2,1-4H3
InChIKeyVLOONKZOLYIDHJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.01
Rot. Bonds7

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

2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine (PubChem CID 104637288) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
PubChem CID104637288
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
SMILESCCCCc1nc(C(C)(N)COC(C)C)no1
InChIInChI=1S/C12H23N3O2/c1-5-6-7-10-14-11(15-17-10)12(4,13)8-16-9(2)3/h9H,5-8,13H2,1-4H3
InChIKeyVLOONKZOLYIDHJ-UHFFFAOYSA-N
XLogP2.01
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine?
The IUPAC name of 2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine (CID 104637288) is 2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine?
The canonical SMILES for 2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine is CCCCc1nc(C(C)(N)COC(C)C)no1.
What is the InChIKey of 2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine?
The InChIKey is VLOONKZOLYIDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-6-7-10-14-11(15-17-10)12(4,13)8-16-9(2)3/h9H,5-8,13H2,1-4H3.
What are the key properties of 2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine?
2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine has a molecular weight of 241.33 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 104637288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).