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

C20H21N3O2 — CID 26613341

IUPAC2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc([C@@H](C)N3CCc4ccccc4C3)o2)cc1
InChIInChI=1S/C20H21N3O2/c1-14(23-12-11-15-5-3-4-6-17(15)13-23)19-21-22-20(25-19)16-7-9-18(24-2)10-8-16/h3-10,14H,11-13H2,1-2H3/t14-/m1/s1
InChIKeyUAZQKAHIRXQEGM-CQSZACIVSA-N
MW335.41 g/mol
LogP3.86
Rot. Bonds4

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

2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 26613341) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID26613341
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc([C@@H](C)N3CCc4ccccc4C3)o2)cc1
InChIInChI=1S/C20H21N3O2/c1-14(23-12-11-15-5-3-4-6-17(15)13-23)19-21-22-20(25-19)16-7-9-18(24-2)10-8-16/h3-10,14H,11-13H2,1-2H3/t14-/m1/s1
InChIKeyUAZQKAHIRXQEGM-CQSZACIVSA-N
XLogP3.86
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole
CID 56810609
2-(4-methoxyphenyl)-5-[(1S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 9130894
4-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-8-methoxy-3,5-dihydro-2H-1,4-benzoxazepine
CID 126801078
(3R)-1-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyrrolidine-3-carboxamide
CID 100840644
2-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8693491
2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
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(6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine
CID 124824367
2-(4-methoxyphenyl)-5-[(1R)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 33024180
2-(4-methoxyphenyl)-5-[(1R)-1-phenylsulfanylethyl]-1,3,4-oxadiazole
CID 9007491
2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 51225270
2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 25346846
2-[(1R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 26613341) is 2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc([C@@H](C)N3CCc4ccccc4C3)o2)cc1.
What is the InChIKey of 2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is UAZQKAHIRXQEGM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(23-12-11-15-5-3-4-6-17(15)13-23)19-21-22-20(25-19)16-7-9-18(24-2)10-8-16/h3-10,14H,11-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 335.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 26613341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).