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

C15H16N4O — CID 63950701

IUPAC3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)CNc1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C15H16N4O/c1-10(2)9-17-15-18-14(19-20-15)13-12-6-4-3-5-11(12)7-8-16-13/h3-8,10H,9H2,1-2H3,(H,17,18,19)
InChIKeyFKCWPIWSXFOGRE-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.35
Rot. Bonds4

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

3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine (PubChem CID 63950701) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
PubChem CID63950701
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)CNc1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C15H16N4O/c1-10(2)9-17-15-18-14(19-20-15)13-12-6-4-3-5-11(12)7-8-16-13/h3-8,10H,9H2,1-2H3,(H,17,18,19)
InChIKeyFKCWPIWSXFOGRE-UHFFFAOYSA-N
XLogP3.35
TPSA63.84 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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine (CID 63950701) is 3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine is CC(C)CNc1nc(-c2nccc3ccccc23)no1.
What is the InChIKey of 3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is FKCWPIWSXFOGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10(2)9-17-15-18-14(19-20-15)13-12-6-4-3-5-11(12)7-8-16-13/h3-8,10H,9H2,1-2H3,(H,17,18,19).
What are the key properties of 3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 268.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 63950701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).