2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

C12H24N4O2 — CID 55227296

IUPAC2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCCN(CC)Cc1nc(C(C)(C)N)no1
InChIInChI=1S/C12H24N4O2/c1-5-16(7-8-17-6-2)9-10-14-11(15-18-10)12(3,4)13/h5-9,13H2,1-4H3
InChIKeyKOJKQKMZAFCPPD-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.12
Rot. Bonds8

About 2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 55227296) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID55227296
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCCN(CC)Cc1nc(C(C)(C)N)no1
InChIInChI=1S/C12H24N4O2/c1-5-16(7-8-17-6-2)9-10-14-11(15-18-10)12(3,4)13/h5-9,13H2,1-4H3
InChIKeyKOJKQKMZAFCPPD-UHFFFAOYSA-N
XLogP1.12
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-[[cyclopropylmethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119931658
N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride
CID 119930437
2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride
CID 119930799
2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119932309
N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 55226182
N-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 88977391
2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride
CID 47002453
2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 112587704
2-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636396
N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride
CID 119929750
2-(5-pentyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 61326284
4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine
CID 63697554

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 55227296) is 2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CCOCCN(CC)Cc1nc(C(C)(C)N)no1.
What is the InChIKey of 2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is KOJKQKMZAFCPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-5-16(7-8-17-6-2)9-10-14-11(15-18-10)12(3,4)13/h5-9,13H2,1-4H3.
What are the key properties of 2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 256.35 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 55227296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).