2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride

C13H26ClN5O2 — CID 119930799

IUPAC2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride
SMILESCCCN(CC(=O)N(C)C)Cc1nc(C(C)(C)N)no1.Cl
InChIInChI=1S/C13H25N5O2.ClH/c1-6-7-18(9-11(19)17(4)5)8-10-15-12(16-20-10)13(2,3)14;/h6-9,14H2,1-5H3;1H
InChIKeyULELEPRXMFFOJC-UHFFFAOYSA-N
MW319.84 g/mol
LogP0.99
Rot. Bonds7

About 2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride

2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride (PubChem CID 119930799) has the molecular formula C13H26ClN5O2 and a molecular weight of 319.84 g/mol. Its IUPAC name is 2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride
PubChem CID119930799
Molecular FormulaC13H26ClN5O2
Molecular Weight319.84 g/mol
Exact Mass319.18
IUPAC Name2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride
SMILESCCCN(CC(=O)N(C)C)Cc1nc(C(C)(C)N)no1.Cl
InChIInChI=1S/C13H25N5O2.ClH/c1-6-7-18(9-11(19)17(4)5)8-10-15-12(16-20-10)13(2,3)14;/h6-9,14H2,1-5H3;1H
InChIKeyULELEPRXMFFOJC-UHFFFAOYSA-N
XLogP0.99
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride?
The IUPAC name of 2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride (CID 119930799) is 2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride.
What is the SMILES notation for 2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride?
The canonical SMILES for 2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride is CCCN(CC(=O)N(C)C)Cc1nc(C(C)(C)N)no1.Cl.
What is the InChIKey of 2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride?
The InChIKey is ULELEPRXMFFOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2.ClH/c1-6-7-18(9-11(19)17(4)5)8-10-15-12(16-20-10)13(2,3)14;/h6-9,14H2,1-5H3;1H.
What are the key properties of 2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride?
2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride has a molecular weight of 319.84 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride is sourced from PubChem (CID 119930799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).