4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one

C17H22N4O4 — CID 137166532

About 4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one

4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137166532) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
• PubChem CID: 137166532
• Molecular Formula: C17H22N4O4
• Molecular Weight: 346.39 g/mol
• Exact Mass: 346.16
• IUPAC Name: 4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
• SMILES: Cc1nc([C@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)cc(=O)[nH]1
• InChI: InChI=1S/C17H22N4O4/c1-10-13(11(2)25-20-10)4-5-17(23)21-6-7-24-15(9-21)14-8-16(22)19-12(3)18-14/h8,15H,4-7,9H2,1-3H3,(H,18,19,22)/t15-/m1/s1
• InChIKey: JUJMXTJGABZSLJ-OAHLLOKOSA-N
• XLogP: 1.22
• TPSA: 101.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.39
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?

The IUPAC name of 4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one (CID 137166532) is 4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one.

What is the SMILES notation for 4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?

The canonical SMILES for 4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc([C@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)cc(=O)[nH]1.

What is the InChIKey of 4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?

The InChIKey is JUJMXTJGABZSLJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-10-13(11(2)25-20-10)4-5-17(23)21-6-7-24-15(9-21)14-8-16(22)19-12(3)18-14/h8,15H,4-7,9H2,1-3H3,(H,18,19,22)/t15-/m1/s1.

What are the key properties of 4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?

4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 346.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137166532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).