1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine

C12H24N4O2 — CID 113435584

IUPAC1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCOCCc1nc(C(N)CN(CC)CC)no1
InChIInChI=1S/C12H24N4O2/c1-4-16(5-2)9-10(13)12-14-11(18-15-12)7-8-17-6-3/h10H,4-9,13H2,1-3H3
InChIKeyHBJICJVYRJOVME-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.99
Rot. Bonds9

About 1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine

1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 113435584) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound Name1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID113435584
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCOCCc1nc(C(N)CN(CC)CC)no1
InChIInChI=1S/C12H24N4O2/c1-4-16(5-2)9-10(13)12-14-11(18-15-12)7-8-17-6-3/h10H,4-9,13H2,1-3H3
InChIKeyHBJICJVYRJOVME-UHFFFAOYSA-N
XLogP0.99
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.99
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-ethoxy-1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633999
N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 113435589
N',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635646
1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325212
2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 113435433
2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 103211802
2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62715829
2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 103211816
1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62589330
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814794
[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660353
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 114212437

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of 1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine (CID 113435584) is 1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for 1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for 1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine is CCOCCc1nc(C(N)CN(CC)CC)no1.
What is the InChIKey of 1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is HBJICJVYRJOVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-4-16(5-2)9-10(13)12-14-11(18-15-12)7-8-17-6-3/h10H,4-9,13H2,1-3H3.
What are the key properties of 1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine?
1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 0.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 113435584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).