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

C14H18Cl2N4O — CID 104635553

IUPAC1-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CC(N)c1noc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H18Cl2N4O/c1-3-20(4-2)8-11(17)13-18-14(21-19-13)9-6-5-7-10(15)12(9)16/h5-7,11H,3-4,8,17H2,1-2H3
InChIKeyRDPFOHGMKWADII-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.38
Rot. Bonds6

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

1-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 104635553) has the molecular formula C14H18Cl2N4O and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound Name1-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID104635553
Molecular FormulaC14H18Cl2N4O
Molecular Weight329.23 g/mol
Exact Mass328.09
IUPAC Name1-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CC(N)c1noc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H18Cl2N4O/c1-3-20(4-2)8-11(17)13-18-14(21-19-13)9-6-5-7-10(15)12(9)16/h5-7,11H,3-4,8,17H2,1-2H3
InChIKeyRDPFOHGMKWADII-UHFFFAOYSA-N
XLogP3.38
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635622
N',N'-diethyl-1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635521
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-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 107965441
1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 107099594
N',N'-diethyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635435
1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635621
1-[5-(3-chloro-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 103405257
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-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
CID 104672221
2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633198

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of 1-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine (CID 104635553) is 1-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for 1-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for 1-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CC(N)c1noc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 1-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is RDPFOHGMKWADII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4O/c1-3-20(4-2)8-11(17)13-18-14(21-19-13)9-6-5-7-10(15)12(9)16/h5-7,11H,3-4,8,17H2,1-2H3.
What are the key properties of 1-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine?
1-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 329.23 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 104635553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).