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

C21H23N3O2 — CID 86952151

IUPAC5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCC1c2ccccc2CCN1Cc1nc(-c2ccccc2OC)no1
InChIInChI=1S/C21H23N3O2/c1-3-18-16-9-5-4-8-15(16)12-13-24(18)14-20-22-21(23-26-20)17-10-6-7-11-19(17)25-2/h4-11,18H,3,12-14H2,1-2H3
InChIKeyDCFGILFFRUZVDI-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.25
Rot. Bonds5

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

5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 86952151) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID86952151
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCC1c2ccccc2CCN1Cc1nc(-c2ccccc2OC)no1
InChIInChI=1S/C21H23N3O2/c1-3-18-16-9-5-4-8-15(16)12-13-24(18)14-20-22-21(23-26-20)17-10-6-7-11-19(17)25-2/h4-11,18H,3,12-14H2,1-2H3
InChIKeyDCFGILFFRUZVDI-UHFFFAOYSA-N
XLogP4.25
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
CID 78817560
3-(2-methoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 25355481
(1S)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 95303271
3-[2-(difluoromethoxy)phenyl]-5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 78815482
2-[2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole
CID 87011107
3-(2-methoxyphenyl)-5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30728604
3-(2-methoxyphenyl)-5-[[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 55829170
5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 41037512
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 50953070
5-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 33020173
5-[[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 86895370
5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 29153480

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 86952151) is 5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is CCC1c2ccccc2CCN1Cc1nc(-c2ccccc2OC)no1.
What is the InChIKey of 5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is DCFGILFFRUZVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-18-16-9-5-4-8-15(16)12-13-24(18)14-20-22-21(23-26-20)17-10-6-7-11-19(17)25-2/h4-11,18H,3,12-14H2,1-2H3.
What are the key properties of 5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 349.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 86952151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).