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

C16H16N4O4 — CID 53086688

IUPAC2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(C)nc2onc(C)c2c1=O
InChIInChI=1S/C16H16N4O4/c1-9-14-15(24-19-9)17-10(2)20(16(14)22)8-13(21)18-11-6-4-5-7-12(11)23-3/h4-7H,8H2,1-3H3,(H,18,21)
InChIKeyOHFMICIJURVQPS-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.65
Rot. Bonds4

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

2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide (PubChem CID 53086688) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide
PubChem CID53086688
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(C)nc2onc(C)c2c1=O
InChIInChI=1S/C16H16N4O4/c1-9-14-15(24-19-9)17-10(2)20(16(14)22)8-13(21)18-11-6-4-5-7-12(11)23-3/h4-7H,8H2,1-3H3,(H,18,21)
InChIKeyOHFMICIJURVQPS-UHFFFAOYSA-N
XLogP1.65
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide (CID 53086688) is 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1c(C)nc2onc(C)c2c1=O.
What is the InChIKey of 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide?
The InChIKey is OHFMICIJURVQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-9-14-15(24-19-9)17-10(2)20(16(14)22)8-13(21)18-11-6-4-5-7-12(11)23-3/h4-7H,8H2,1-3H3,(H,18,21).
What are the key properties of 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide?
2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide has a molecular weight of 328.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 53086688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).