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

C15H16N4O — CID 63950448

IUPAC3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C15H16N4O/c1-16-9-4-7-13-18-15(19-20-13)14-12-6-3-2-5-11(12)8-10-17-14/h2-3,5-6,8,10,16H,4,7,9H2,1H3
InChIKeyXTUOLVAGVJTTKC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.44
Rot. Bonds5

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

3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine (PubChem CID 63950448) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
PubChem CID63950448
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C15H16N4O/c1-16-9-4-7-13-18-15(19-20-13)14-12-6-3-2-5-11(12)8-10-17-14/h2-3,5-6,8,10,16H,4,7,9H2,1H3
InChIKeyXTUOLVAGVJTTKC-UHFFFAOYSA-N
XLogP2.44
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine with MolForge

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Related Compounds

N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62716729
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63949082
(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63947643
methyl 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79475323
1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 63948418
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetic acid
CID 63948422
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62098241
N-ethyl-3-isoquinolin-1-yl-1,2,4-oxadiazol-5-amine
CID 63950489
ethyl 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79481902
N-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104797709
1-cyclopropyl-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanone
CID 63950495
N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 114876515

Frequently Asked Questions

What is the IUPAC name of 3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine (CID 63950448) is 3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine is CNCCCc1nc(-c2nccc3ccccc23)no1.
What is the InChIKey of 3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine?
The InChIKey is XTUOLVAGVJTTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-16-9-4-7-13-18-15(19-20-13)14-12-6-3-2-5-11(12)8-10-17-14/h2-3,5-6,8,10,16H,4,7,9H2,1H3.
What are the key properties of 3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine?
3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 63950448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).