4-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one

C22H24N4O4 — CID 110121169

About 4-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one

4-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one (PubChem CID 110121169) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one
• PubChem CID: 110121169
• Molecular Formula: C22H24N4O4
• Molecular Weight: 408.46 g/mol
• Exact Mass: 408.18
• IUPAC Name: 4-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one
• SMILES: COc1cccc(Cc2cnc(C3CCCCN3C(=O)c3cc(C)[nH]c(=O)n3)o2)c1
• InChI: InChI=1S/C22H24N4O4/c1-14-10-18(25-22(28)24-14)21(27)26-9-4-3-8-19(26)20-23-13-17(30-20)12-15-6-5-7-16(11-15)29-2/h5-7,10-11,13,19H,3-4,8-9,12H2,1-2H3,(H,24,25,28)
• InChIKey: JHMJEVFUEGECDR-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 101.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.46
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one?

The IUPAC name of 4-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one (CID 110121169) is 4-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one.

What is the SMILES notation for 4-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one?

The canonical SMILES for 4-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one is COc1cccc(Cc2cnc(C3CCCCN3C(=O)c3cc(C)[nH]c(=O)n3)o2)c1.

What is the InChIKey of 4-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one?

The InChIKey is JHMJEVFUEGECDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14-10-18(25-22(28)24-14)21(27)26-9-4-3-8-19(26)20-23-13-17(30-20)12-15-6-5-7-16(11-15)29-2/h5-7,10-11,13,19H,3-4,8-9,12H2,1-2H3,(H,24,25,28).

What are the key properties of 4-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one?

4-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one has a molecular weight of 408.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 110121169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).