6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione

C17H20N4O4 — CID 169422207

About 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione

6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 169422207) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
• PubChem CID: 169422207
• Molecular Formula: C17H20N4O4
• Molecular Weight: 344.37 g/mol
• Exact Mass: 344.15
• IUPAC Name: 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
• SMILES: Cn1c(C(=O)N2CCc3oc(C4CCC4)nc3C2)cc(=O)n(C)c1=O
• InChI: InChI=1S/C17H20N4O4/c1-19-12(8-14(22)20(2)17(19)24)16(23)21-7-6-13-11(9-21)18-15(25-13)10-4-3-5-10/h8,10H,3-7,9H2,1-2H3
• InChIKey: XUNOLUUQHVFTJY-UHFFFAOYSA-N
• XLogP: 0.54
• TPSA: 90.34 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.37
LogP ≤ 5	0.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?

The IUPAC name of 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione (CID 169422207) is 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione.

What is the SMILES notation for 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?

The canonical SMILES for 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(C(=O)N2CCc3oc(C4CCC4)nc3C2)cc(=O)n(C)c1=O.

What is the InChIKey of 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?

The InChIKey is XUNOLUUQHVFTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-19-12(8-14(22)20(2)17(19)24)16(23)21-7-6-13-11(9-21)18-15(25-13)10-4-3-5-10/h8,10H,3-7,9H2,1-2H3.

What are the key properties of 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?

6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 344.37 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 169422207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).