1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine

C15H16N4O — CID 62876085

IUPAC1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine
SMILESCCC(N)Cc1noc(-c2cccc3cccnc23)n1
InChIInChI=1S/C15H16N4O/c1-2-11(16)9-13-18-15(20-19-13)12-7-3-5-10-6-4-8-17-14(10)12/h3-8,11H,2,9,16H2,1H3
InChIKeyTYXCBWDUWNUIET-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.56
Rot. Bonds4

About 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine

1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine (PubChem CID 62876085) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine
PubChem CID62876085
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine
SMILESCCC(N)Cc1noc(-c2cccc3cccnc23)n1
InChIInChI=1S/C15H16N4O/c1-2-11(16)9-13-18-15(20-19-13)12-7-3-5-10-6-4-8-17-14(10)12/h3-8,11H,2,9,16H2,1H3
InChIKeyTYXCBWDUWNUIET-UHFFFAOYSA-N
XLogP2.56
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 81263143
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62648040
1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 102660591
1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 114018605
3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 55101558
1-[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62645547
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62646611
1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62921536
1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 65100845
2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104615619
1-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62647161
1-[5-(5-methyl-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 65463046

Frequently Asked Questions

What is the IUPAC name of 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine?
The IUPAC name of 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine (CID 62876085) is 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine?
The canonical SMILES for 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine is CCC(N)Cc1noc(-c2cccc3cccnc23)n1.
What is the InChIKey of 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine?
The InChIKey is TYXCBWDUWNUIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-11(16)9-13-18-15(20-19-13)12-7-3-5-10-6-4-8-17-14(10)12/h3-8,11H,2,9,16H2,1H3.
What are the key properties of 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine?
1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine is sourced from PubChem (CID 62876085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).