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

C14H20N4O — CID 61325213

IUPAC4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
SMILESCCCC(N)c1noc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C14H20N4O/c1-4-5-12(15)13-16-14(19-17-13)10-6-8-11(9-7-10)18(2)3/h6-9,12H,4-5,15H2,1-3H3
InChIKeyFCYSOZRQVLXJKM-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.60
Rot. Bonds5

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

4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline (PubChem CID 61325213) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
PubChem CID61325213
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
SMILESCCCC(N)c1noc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C14H20N4O/c1-4-5-12(15)13-16-14(19-17-13)10-6-8-11(9-7-10)18(2)3/h6-9,12H,4-5,15H2,1-3H3
InChIKeyFCYSOZRQVLXJKM-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325011
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61323785
5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710759
1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 107992698
1-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 63195096
1-[5-(2,3-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61326456
1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62920470
1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 66157200
3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
CID 114040934
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62278430
1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 14024498
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323780

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline (CID 61325213) is 4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline is CCCC(N)c1noc(-c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline?
The InChIKey is FCYSOZRQVLXJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-5-12(15)13-16-14(19-17-13)10-6-8-11(9-7-10)18(2)3/h6-9,12H,4-5,15H2,1-3H3.
What are the key properties of 4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline?
4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline has a molecular weight of 260.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 61325213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).