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

C14H20N4O3 — CID 104635206

IUPAC1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc(OC)cc(-c2nc(C(N)CN(C)C)no2)c1
InChIInChI=1S/C14H20N4O3/c1-18(2)8-12(15)13-16-14(21-17-13)9-5-10(19-3)7-11(6-9)20-4/h5-7,12H,8,15H2,1-4H3
InChIKeyZXTWTSYCVIAPOO-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.32
Rot. Bonds6

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

1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 104635206) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID104635206
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc(OC)cc(-c2nc(C(N)CN(C)C)no2)c1
InChIInChI=1S/C14H20N4O3/c1-18(2)8-12(15)13-16-14(21-17-13)9-5-10(19-3)7-11(6-9)20-4/h5-7,12H,8,15H2,1-4H3
InChIKeyZXTWTSYCVIAPOO-UHFFFAOYSA-N
XLogP1.32
TPSA86.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(3,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 107974503
1-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635308
N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635367
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 114021757
1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635360
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635074
N',N'-dimethyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635334
1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 105064392
N',N'-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635213
N',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635396
N',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 114022913
N',N'-dimethyl-1-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635309

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine (CID 104635206) is 1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine is COc1cc(OC)cc(-c2nc(C(N)CN(C)C)no2)c1.
What is the InChIKey of 1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is ZXTWTSYCVIAPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-18(2)8-12(15)13-16-14(21-17-13)9-5-10(19-3)7-11(6-9)20-4/h5-7,12H,8,15H2,1-4H3.
What are the key properties of 1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine?
1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 292.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 104635206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).