N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide

C20H24N4O5 — CID 53086815

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCCOc1ccc(CNC(=O)Cn2c(CC)nc3onc(C)c3c2=O)cc1OC
InChIInChI=1S/C20H24N4O5/c1-5-16-22-19-18(12(3)23-29-19)20(26)24(16)11-17(25)21-10-13-7-8-14(28-6-2)15(9-13)27-4/h7-9H,5-6,10-11H2,1-4H3,(H,21,25)
InChIKeyXIIOCKGSQGDOKK-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.98
Rot. Bonds8

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 53086815) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID53086815
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCCOc1ccc(CNC(=O)Cn2c(CC)nc3onc(C)c3c2=O)cc1OC
InChIInChI=1S/C20H24N4O5/c1-5-16-22-19-18(12(3)23-29-19)20(26)24(16)11-17(25)21-10-13-7-8-14(28-6-2)15(9-13)27-4/h7-9H,5-6,10-11H2,1-4H3,(H,21,25)
InChIKeyXIIOCKGSQGDOKK-UHFFFAOYSA-N
XLogP1.98
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 53086815) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide is CCOc1ccc(CNC(=O)Cn2c(CC)nc3onc(C)c3c2=O)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is XIIOCKGSQGDOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-5-16-22-19-18(12(3)23-29-19)20(26)24(16)11-17(25)21-10-13-7-8-14(28-6-2)15(9-13)27-4/h7-9H,5-6,10-11H2,1-4H3,(H,21,25).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 400.44 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 53086815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).