4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole

C21H24N2O4 — CID 95192473

IUPAC4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole
SMILESCOc1cc2c(cc1OC)[C@H](C)N(Cc1nc(-c3ccco3)oc1C)CC2
InChIInChI=1S/C21H24N2O4/c1-13-16-11-20(25-4)19(24-3)10-15(16)7-8-23(13)12-17-14(2)27-21(22-17)18-6-5-9-26-18/h5-6,9-11,13H,7-8,12H2,1-4H3/t13-/m0/s1
InChIKeyUSZQNUMNSWHIMK-ZDUSSCGKSA-N
MW368.43 g/mol
LogP4.38
Rot. Bonds5

About 4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole

4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole (PubChem CID 95192473) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole
PubChem CID95192473
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole
SMILESCOc1cc2c(cc1OC)[C@H](C)N(Cc1nc(-c3ccco3)oc1C)CC2
InChIInChI=1S/C21H24N2O4/c1-13-16-11-20(25-4)19(24-3)10-15(16)7-8-23(13)12-17-14(2)27-21(22-17)18-6-5-9-26-18/h5-6,9-11,13H,7-8,12H2,1-4H3/t13-/m0/s1
InChIKeyUSZQNUMNSWHIMK-ZDUSSCGKSA-N
XLogP4.38
TPSA60.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

2-(furan-2-yl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 25460901
2-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 3390089
2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol
CID 26338876
methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 56805035
3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-(furan-2-yl)-1,2-oxazole
CID 26012428
N-[[(1S)-6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]furan-2-carboxamide
CID 93151307
2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole
CID 96558667
3-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzonitrile
CID 7692709
(E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol
CID 10925882
[1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol
CID 69216951
6,7-dimethoxy-1-methyl-2-prop-2-ynyl-3,4-dihydro-1H-isoquinoline
CID 3100797
(5E)-5-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 59411536

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole (CID 95192473) is 4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole is COc1cc2c(cc1OC)[C@H](C)N(Cc1nc(-c3ccco3)oc1C)CC2.
What is the InChIKey of 4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole?
The InChIKey is USZQNUMNSWHIMK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-16-11-20(25-4)19(24-3)10-15(16)7-8-23(13)12-17-14(2)27-21(22-17)18-6-5-9-26-18/h5-6,9-11,13H,7-8,12H2,1-4H3/t13-/m0/s1.
What are the key properties of 4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole?
4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole has a molecular weight of 368.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 95192473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).