1-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one

C23H25N3O4 — CID 110120976

About 1-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one

1-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 110120976) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one
• PubChem CID: 110120976
• Molecular Formula: C23H25N3O4
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.18
• IUPAC Name: 1-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one
• SMILES: COc1cccc(Cc2cnc(C3CCCCN3C(=O)Cn3ccccc3=O)o2)c1
• InChI: InChI=1S/C23H25N3O4/c1-29-18-8-6-7-17(13-18)14-19-15-24-23(30-19)20-9-2-5-12-26(20)22(28)16-25-11-4-3-10-21(25)27/h3-4,6-8,10-11,13,15,20H,2,5,9,12,14,16H2,1H3
• InChIKey: PZNHFPWNGKQFQC-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 77.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one?

The IUPAC name of 1-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 110120976) is 1-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one.

What is the SMILES notation for 1-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one?

The canonical SMILES for 1-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one is COc1cccc(Cc2cnc(C3CCCCN3C(=O)Cn3ccccc3=O)o2)c1.

What is the InChIKey of 1-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one?

The InChIKey is PZNHFPWNGKQFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-29-18-8-6-7-17(13-18)14-19-15-24-23(30-19)20-9-2-5-12-26(20)22(28)16-25-11-4-3-10-21(25)27/h3-4,6-8,10-11,13,15,20H,2,5,9,12,14,16H2,1H3.

What are the key properties of 1-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one?

1-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 407.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 110120976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).