5-methyl-1-[2-oxo-2-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]pyrimidine-2,4-dione

C21H22N4O4 — CID 170506474

About 5-methyl-1-[2-oxo-2-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]pyrimidine-2,4-dione

5-methyl-1-[2-oxo-2-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]pyrimidine-2,4-dione (PubChem CID 170506474) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-methyl-1-[2-oxo-2-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-methyl-1-[2-oxo-2-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]pyrimidine-2,4-dione
• PubChem CID: 170506474
• Molecular Formula: C21H22N4O4
• Molecular Weight: 394.43 g/mol
• Exact Mass: 394.16
• IUPAC Name: 5-methyl-1-[2-oxo-2-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]pyrimidine-2,4-dione
• SMILES: Cc1cn(CC(=O)N2CCc3oc(CCc4ccccc4)nc3C2)c(=O)[nH]c1=O
• InChI: InChI=1S/C21H22N4O4/c1-14-11-25(21(28)23-20(14)27)13-19(26)24-10-9-17-16(12-24)22-18(29-17)8-7-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3,(H,23,27,28)
• InChIKey: VCISMSWABYOZTA-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 101.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.43
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-oxo-2-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]pyrimidine-2,4-dione?

The IUPAC name of 5-methyl-1-[2-oxo-2-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]pyrimidine-2,4-dione (CID 170506474) is 5-methyl-1-[2-oxo-2-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]pyrimidine-2,4-dione.

What is the SMILES notation for 5-methyl-1-[2-oxo-2-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]pyrimidine-2,4-dione?

The canonical SMILES for 5-methyl-1-[2-oxo-2-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]pyrimidine-2,4-dione is Cc1cn(CC(=O)N2CCc3oc(CCc4ccccc4)nc3C2)c(=O)[nH]c1=O.

What is the InChIKey of 5-methyl-1-[2-oxo-2-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]pyrimidine-2,4-dione?

The InChIKey is VCISMSWABYOZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-14-11-25(21(28)23-20(14)27)13-19(26)24-10-9-17-16(12-24)22-18(29-17)8-7-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3,(H,23,27,28).

What are the key properties of 5-methyl-1-[2-oxo-2-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]pyrimidine-2,4-dione?

5-methyl-1-[2-oxo-2-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]pyrimidine-2,4-dione has a molecular weight of 394.43 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1-[2-oxo-2-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 170506474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).