5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide

C23H22FN3O6 — CID 39378237

IUPAC5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3c4c(c(OC)c5c3OCO5)CN(C)CC4)no2)cc1F
InChIInChI=1S/C23H22FN3O6/c1-27-7-6-13-14(10-27)20(30-3)22-21(31-11-32-22)19(13)25-23(28)16-9-18(33-26-16)12-4-5-17(29-2)15(24)8-12/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,25,28)
InChIKeyAILKXFMBNCAKNL-UHFFFAOYSA-N
MW455.44 g/mol
LogP3.47
Rot. Bonds5

About 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide

5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide (PubChem CID 39378237) has the molecular formula C23H22FN3O6 and a molecular weight of 455.44 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide
PubChem CID39378237
Molecular FormulaC23H22FN3O6
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3c4c(c(OC)c5c3OCO5)CN(C)CC4)no2)cc1F
InChIInChI=1S/C23H22FN3O6/c1-27-7-6-13-14(10-27)20(30-3)22-21(31-11-32-22)19(13)25-23(28)16-9-18(33-26-16)12-4-5-17(29-2)15(24)8-12/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,25,28)
InChIKeyAILKXFMBNCAKNL-UHFFFAOYSA-N
XLogP3.47
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(2-phenylethyl)benzamide
CID 39377835
N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 39377793
5-(3,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 22427442
4-methoxy-6-methyl-9-(trifluoromethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 119054043
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604841
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82130829
5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117390409
3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369102
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 17252987
5-(4-chlorophenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
CID 35340823
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15997665
5-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 15999607

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide (CID 39378237) is 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3c4c(c(OC)c5c3OCO5)CN(C)CC4)no2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is AILKXFMBNCAKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O6/c1-27-7-6-13-14(10-27)20(30-3)22-21(31-11-32-22)19(13)25-23(28)16-9-18(33-26-16)12-4-5-17(29-2)15(24)8-12/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,25,28).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide?
5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39378237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).