5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

C23H20N4O — CID 47053432

IUPAC5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(C2CN(Cc3nc(-c4ccccn4)no3)Cc3ccccc32)cc1
InChIInChI=1S/C23H20N4O/c1-2-8-17(9-3-1)20-15-27(14-18-10-4-5-11-19(18)20)16-22-25-23(26-28-22)21-12-6-7-13-24-21/h1-13,20H,14-16H2
InChIKeyDOFVDZVLHWHTKO-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.28
Rot. Bonds4

About 5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 47053432) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID47053432
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(C2CN(Cc3nc(-c4ccccn4)no3)Cc3ccccc32)cc1
InChIInChI=1S/C23H20N4O/c1-2-8-17(9-3-1)20-15-27(14-18-10-4-5-11-19(18)20)16-22-25-23(26-28-22)21-12-6-7-13-24-21/h1-13,20H,14-16H2
InChIKeyDOFVDZVLHWHTKO-UHFFFAOYSA-N
XLogP4.28
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

3-cyclopropyl-5-[[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,2,4-oxadiazole
CID 36721570
3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 25282589
5-[(3-cyclohexylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 45245967
2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 47054231
3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 29084658
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
CID 114351352
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60837872
N-methyl-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 47053628
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 80575366
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 82713825
5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 29085047

Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 47053432) is 5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is c1ccc(C2CN(Cc3nc(-c4ccccn4)no3)Cc3ccccc32)cc1.
What is the InChIKey of 5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is DOFVDZVLHWHTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-2-8-17(9-3-1)20-15-27(14-18-10-4-5-11-19(18)20)16-22-25-23(26-28-22)21-12-6-7-13-24-21/h1-13,20H,14-16H2.
What are the key properties of 5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 368.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 47053432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).