3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline

C14H20N4O — CID 55101558

IUPAC3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
SMILESCCC(N)Cc1noc(-c2cccc(N(C)C)c2)n1
InChIInChI=1S/C14H20N4O/c1-4-11(15)9-13-16-14(19-17-13)10-6-5-7-12(8-10)18(2)3/h5-8,11H,4,9,15H2,1-3H3
InChIKeyMTKLZVVLOQWDSX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.08
Rot. Bonds5

About 3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline

3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline (PubChem CID 55101558) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
PubChem CID55101558
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
SMILESCCC(N)Cc1noc(-c2cccc(N(C)C)c2)n1
InChIInChI=1S/C14H20N4O/c1-4-11(15)9-13-16-14(19-17-13)10-6-5-7-12(8-10)18(2)3/h5-8,11H,4,9,15H2,1-3H3
InChIKeyMTKLZVVLOQWDSX-UHFFFAOYSA-N
XLogP2.08
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62921536
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 81476585
1-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 55161983
3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 104634668
3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 61324207
5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride
CID 76848385
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62646611
1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 79683529
1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 114018605
1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 65100845
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62648040
1-[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62645547

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline?
The IUPAC name of 3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline (CID 55101558) is 3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline is CCC(N)Cc1noc(-c2cccc(N(C)C)c2)n1.
What is the InChIKey of 3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline?
The InChIKey is MTKLZVVLOQWDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-11(15)9-13-16-14(19-17-13)10-6-5-7-12(8-10)18(2)3/h5-8,11H,4,9,15H2,1-3H3.
What are the key properties of 3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline?
3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline has a molecular weight of 260.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 55101558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).