5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole

C15H18N2O3 — CID 95857134

IUPAC5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole
SMILESCOc1cc2c(cc1OC)[C@@H](c1cc(C)no1)NCC2
InChIInChI=1S/C15H18N2O3/c1-9-6-14(20-17-9)15-11-8-13(19-3)12(18-2)7-10(11)4-5-16-15/h6-8,15-16H,4-5H2,1-3H3/t15-/m0/s1
InChIKeySNBHEEXWVLYICK-HNNXBMFYSA-N
MW274.32 g/mol
LogP2.24
Rot. Bonds3

About 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole

5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole (PubChem CID 95857134) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole
PubChem CID95857134
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole
SMILESCOc1cc2c(cc1OC)[C@@H](c1cc(C)no1)NCC2
InChIInChI=1S/C15H18N2O3/c1-9-6-14(20-17-9)15-11-8-13(19-3)12(18-2)7-10(11)4-5-16-15/h6-8,15-16H,4-5H2,1-3H3/t15-/m0/s1
InChIKeySNBHEEXWVLYICK-HNNXBMFYSA-N
XLogP2.24
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole with MolForge

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Related Compounds

(5R)-5-(3-methyl-1,2-oxazol-5-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 95857718
6,7-dimethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 5138139
(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 745498
1-(4-ethylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3248607
(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 96980269
6,7-dimethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3885623
1-chloro-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141053533
1-(4-iodophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3998225
1-(5-ethyl-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3938747
(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 168869332
1-(5-bromo-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3969108
1-(2,6-dimethylphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3948451

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole (CID 95857134) is 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole is COc1cc2c(cc1OC)[C@@H](c1cc(C)no1)NCC2.
What is the InChIKey of 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole?
The InChIKey is SNBHEEXWVLYICK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-6-14(20-17-9)15-11-8-13(19-3)12(18-2)7-10(11)4-5-16-15/h6-8,15-16H,4-5H2,1-3H3/t15-/m0/s1.
What are the key properties of 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole?
5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole has a molecular weight of 274.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 95857134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).