(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone

C24H26N2O6 — CID 124875106

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone
SMILESCOc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1
InChIInChI=1S/C24H26N2O6/c1-14(27)23-21(22(25-32-23)15-5-7-18(29-2)8-6-15)24(28)26-10-9-16-11-19(30-3)20(31-4)12-17(16)13-26/h5-8,11-12,14,27H,9-10,13H2,1-4H3/t14-/m0/s1
InChIKeyFZOMFRNTXDRONS-AWEZNQCLSA-N
MW438.48 g/mol
LogP3.62
Rot. Bonds6

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone (PubChem CID 124875106) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone
PubChem CID124875106
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone
SMILESCOc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1
InChIInChI=1S/C24H26N2O6/c1-14(27)23-21(22(25-32-23)15-5-7-18(29-2)8-6-15)24(28)26-10-9-16-11-19(30-3)20(31-4)12-17(16)13-26/h5-8,11-12,14,27H,9-10,13H2,1-4H3/t14-/m0/s1
InChIKeyFZOMFRNTXDRONS-AWEZNQCLSA-N
XLogP3.62
TPSA94.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]methanone
CID 124876643
[5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
CID 162846787
[3-(4-chlorophenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 162847069
[3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
CID 162800374
N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 124877849
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-phenylnaphthalen-2-yl)methanone
CID 175966427
1-[4-[3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 124877442
1-[4-[3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 162913152
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 38211021
[3-(3,4-dimethoxyphenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 124876165

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone (CID 124875106) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone is COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone?
The InChIKey is FZOMFRNTXDRONS-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-14(27)23-21(22(25-32-23)15-5-7-18(29-2)8-6-15)24(28)26-10-9-16-11-19(30-3)20(31-4)12-17(16)13-26/h5-8,11-12,14,27H,9-10,13H2,1-4H3/t14-/m0/s1.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone has a molecular weight of 438.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 124875106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).