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

C15H16N4O — CID 79798411

IUPAC2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C15H16N4O/c1-3-15(2,16)14-18-13(19-20-14)12-11-7-5-4-6-10(11)8-9-17-12/h4-9H,3,16H2,1-2H3
InChIKeyRVLUQWVIQBOXIZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.87
Rot. Bonds3

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

2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 79798411) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID79798411
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C15H16N4O/c1-3-15(2,16)14-18-13(19-20-14)12-11-7-5-4-6-10(11)8-9-17-12/h4-9H,3,16H2,1-2H3
InChIKeyRVLUQWVIQBOXIZ-UHFFFAOYSA-N
XLogP2.87
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 79798411) is 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is CCC(C)(N)c1nc(-c2nccc3ccccc23)no1.
What is the InChIKey of 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is RVLUQWVIQBOXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-15(2,16)14-18-13(19-20-14)12-11-7-5-4-6-10(11)8-9-17-12/h4-9H,3,16H2,1-2H3.
What are the key properties of 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 79798411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).