4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole

C21H20N2O3 — CID 2797018

IUPAC4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole
SMILESCOc1cc2c(cc1OC)C(c1c(-c3ccccc3)noc1C)=NCC2
InChIInChI=1S/C21H20N2O3/c1-13-19(20(23-26-13)14-7-5-4-6-8-14)21-16-12-18(25-3)17(24-2)11-15(16)9-10-22-21/h4-8,11-12H,9-10H2,1-3H3
InChIKeyGSNGPIFGSDKLIH-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.06
Rot. Bonds4

About 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole

4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole (PubChem CID 2797018) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole
PubChem CID2797018
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole
SMILESCOc1cc2c(cc1OC)C(c1c(-c3ccccc3)noc1C)=NCC2
InChIInChI=1S/C21H20N2O3/c1-13-19(20(23-26-13)14-7-5-4-6-8-14)21-16-12-18(25-3)17(24-2)11-15(16)9-10-22-21/h4-8,11-12H,9-10H2,1-3H3
InChIKeyGSNGPIFGSDKLIH-UHFFFAOYSA-N
XLogP4.06
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole?
The IUPAC name of 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole (CID 2797018) is 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole is COc1cc2c(cc1OC)C(c1c(-c3ccccc3)noc1C)=NCC2.
What is the InChIKey of 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole?
The InChIKey is GSNGPIFGSDKLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-13-19(20(23-26-13)14-7-5-4-6-8-14)21-16-12-18(25-3)17(24-2)11-15(16)9-10-22-21/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole?
4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole has a molecular weight of 348.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 2797018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).