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

C18H18N4O — CID 100675540

IUPAC5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESC[C@@H]1c2ccccc2CCN1Cc1nc(-c2cccnc2)no1
InChIInChI=1S/C18H18N4O/c1-13-16-7-3-2-5-14(16)8-10-22(13)12-17-20-18(21-23-17)15-6-4-9-19-11-15/h2-7,9,11,13H,8,10,12H2,1H3/t13-/m1/s1
InChIKeyMUUFFFPUXOYPIH-CYBMUJFWSA-N
MW306.37 g/mol
LogP3.25
Rot. Bonds3

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

5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 100675540) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID100675540
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESC[C@@H]1c2ccccc2CCN1Cc1nc(-c2cccnc2)no1
InChIInChI=1S/C18H18N4O/c1-13-16-7-3-2-5-14(16)8-10-22(13)12-17-20-18(21-23-17)15-6-4-9-19-11-15/h2-7,9,11,13H,8,10,12H2,1H3/t13-/m1/s1
InChIKeyMUUFFFPUXOYPIH-CYBMUJFWSA-N
XLogP3.25
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 17400583
5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95315795
5-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56825307
5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95570862
(6R)-2,2,6-trimethyl-4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95586182
2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 91838424
1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 133343923
5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95352806
4-amino-1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
CID 168700333
3-(3-bromophenyl)-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
CID 55445463
(1R)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 95618047
5-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 86959237

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 100675540) is 5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is C[C@@H]1c2ccccc2CCN1Cc1nc(-c2cccnc2)no1.
What is the InChIKey of 5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is MUUFFFPUXOYPIH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-16-7-3-2-5-14(16)8-10-22(13)12-17-20-18(21-23-17)15-6-4-9-19-11-15/h2-7,9,11,13H,8,10,12H2,1H3/t13-/m1/s1.
What are the key properties of 5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 306.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 100675540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).