N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine

C14H22N4O2 — CID 104635674

IUPACN',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCCc1ccc(-c2nc(C(N)CN(CC)CC)no2)o1
InChIInChI=1S/C14H22N4O2/c1-4-10-7-8-12(19-10)14-16-13(17-20-14)11(15)9-18(5-2)6-3/h7-8,11H,4-6,9,15H2,1-3H3
InChIKeySVXLGSFCZUNCIH-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.23
Rot. Bonds7

About N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine

N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (PubChem CID 104635674) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
PubChem CID104635674
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCCc1ccc(-c2nc(C(N)CN(CC)CC)no2)o1
InChIInChI=1S/C14H22N4O2/c1-4-10-7-8-12(19-10)14-16-13(17-20-14)11(15)9-18(5-2)6-3/h7-8,11H,4-6,9,15H2,1-3H3
InChIKeySVXLGSFCZUNCIH-UHFFFAOYSA-N
XLogP2.23
TPSA81.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096436
N',N'-diethyl-1-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
CID 104672221
N',N'-diethyl-1-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635568
1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635621
1-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635622
1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635449
N',N'-diethyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635435
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635578
1-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 102802227
N',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635635
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635656
N',N'-diethyl-1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635521

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (CID 104635674) is N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is CCc1ccc(-c2nc(C(N)CN(CC)CC)no2)o1.
What is the InChIKey of N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The InChIKey is SVXLGSFCZUNCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-10-7-8-12(19-10)14-16-13(17-20-14)11(15)9-18(5-2)6-3/h7-8,11H,4-6,9,15H2,1-3H3.
What are the key properties of N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine has a molecular weight of 278.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 104635674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).