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

C14H22N4O2 — CID 104635621

IUPAC1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CC(N)c1noc(-c2cc(C)oc2C)n1
InChIInChI=1S/C14H22N4O2/c1-5-18(6-2)8-12(15)13-16-14(20-17-13)11-7-9(3)19-10(11)4/h7,12H,5-6,8,15H2,1-4H3
InChIKeyQSWPZEXWUSPTOQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.29
Rot. Bonds6

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

1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 104635621) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound Name1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID104635621
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CC(N)c1noc(-c2cc(C)oc2C)n1
InChIInChI=1S/C14H22N4O2/c1-5-18(6-2)8-12(15)13-16-14(20-17-13)11-7-9(3)19-10(11)4/h7,12H,5-6,8,15H2,1-4H3
InChIKeyQSWPZEXWUSPTOQ-UHFFFAOYSA-N
XLogP2.29
TPSA81.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine with MolForge

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Related Compounds

1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323572
1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635449
1-[5-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635460
1-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 102802227
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635656
1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 107965441
1-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635622
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
N',N'-diethyl-1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635521
N',N'-diethyl-1-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635568
1-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635553

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine (CID 104635621) is 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CC(N)c1noc(-c2cc(C)oc2C)n1.
What is the InChIKey of 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is QSWPZEXWUSPTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-5-18(6-2)8-12(15)13-16-14(20-17-13)11-7-9(3)19-10(11)4/h7,12H,5-6,8,15H2,1-4H3.
What are the key properties of 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine?
1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 278.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 104635621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).