1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone

C17H15N5O2 — CID 52906392

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone
SMILESO=C(Cc1nnc(-c2cnccn2)o1)N1CCc2ccccc2C1
InChIInChI=1S/C17H15N5O2/c23-16(22-8-5-12-3-1-2-4-13(12)11-22)9-15-20-21-17(24-15)14-10-18-6-7-19-14/h1-4,6-7,10H,5,8-9,11H2
InChIKeyUTJGSCWEFNXWQW-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.65
Rot. Bonds3

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone (PubChem CID 52906392) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone
PubChem CID52906392
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone
SMILESO=C(Cc1nnc(-c2cnccn2)o1)N1CCc2ccccc2C1
InChIInChI=1S/C17H15N5O2/c23-16(22-8-5-12-3-1-2-4-13(12)11-22)9-15-20-21-17(24-15)14-10-18-6-7-19-14/h1-4,6-7,10H,5,8-9,11H2
InChIKeyUTJGSCWEFNXWQW-UHFFFAOYSA-N
XLogP1.65
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone (CID 52906392) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone is O=C(Cc1nnc(-c2cnccn2)o1)N1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone?
The InChIKey is UTJGSCWEFNXWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-16(22-8-5-12-3-1-2-4-13(12)11-22)9-15-20-21-17(24-15)14-10-18-6-7-19-14/h1-4,6-7,10H,5,8-9,11H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone has a molecular weight of 321.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)ethanone is sourced from PubChem (CID 52906392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).