ethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate

C17H17N3O6 — CID 58891591

IUPACethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate
SMILESCCOC(=O)Cn1c(=O)oc(=O)c2cn(Cc3ccc(OC)cc3)nc21
InChIInChI=1S/C17H17N3O6/c1-3-25-14(21)10-20-15-13(16(22)26-17(20)23)9-19(18-15)8-11-4-6-12(24-2)7-5-11/h4-7,9H,3,8,10H2,1-2H3
InChIKeyOYEHYXHYYFOAAY-UHFFFAOYSA-N
MW359.34 g/mol
LogP0.77
Rot. Bonds6

About ethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate

ethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate (PubChem CID 58891591) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is ethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate
PubChem CID58891591
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC Nameethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate
SMILESCCOC(=O)Cn1c(=O)oc(=O)c2cn(Cc3ccc(OC)cc3)nc21
InChIInChI=1S/C17H17N3O6/c1-3-25-14(21)10-20-15-13(16(22)26-17(20)23)9-19(18-15)8-11-4-6-12(24-2)7-5-11/h4-7,9H,3,8,10H2,1-2H3
InChIKeyOYEHYXHYYFOAAY-UHFFFAOYSA-N
XLogP0.77
TPSA105.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate with MolForge

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Related Compounds

ethyl 2-(4,5-dimethyl-2,6-dioxo-1,3-oxazin-3-yl)acetate
CID 58891637
1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione
CID 59699622
6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione
CID 23154002
2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 154637502
ethyl 2-[3-bromo-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]acetate
CID 156847432
ethyl 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
CID 66668814
ethyl 2-[4-(4-methoxyphenyl)triazol-1-yl]acetate
CID 135563871
ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 1206883
ethyl (E)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]prop-2-enoate
CID 165134035
ethyl 2-[3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-2,6-dioxopurin-7-yl]acetate
CID 46061481
ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate
CID 71698444
6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione
CID 170859924

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate (CID 58891591) is ethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate is CCOC(=O)Cn1c(=O)oc(=O)c2cn(Cc3ccc(OC)cc3)nc21.
What is the InChIKey of ethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate?
The InChIKey is OYEHYXHYYFOAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6/c1-3-25-14(21)10-20-15-13(16(22)26-17(20)23)9-19(18-15)8-11-4-6-12(24-2)7-5-11/h4-7,9H,3,8,10H2,1-2H3.
What are the key properties of ethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate?
ethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate has a molecular weight of 359.34 g/mol, XLogP of 0.77, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate is sourced from PubChem (CID 58891591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).