1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one

C24H27N3O3 — CID 153120513

About 1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one

1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one (PubChem CID 153120513) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one
• PubChem CID: 153120513
• Molecular Formula: C24H27N3O3
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.21
• IUPAC Name: 1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one
• SMILES: CCOCc1ccc(C)c(Cc2ncc(-c3cc(C)cc(N4CCNC4=O)c3)o2)c1
• InChI: InChI=1S/C24H27N3O3/c1-4-29-15-18-6-5-17(3)19(11-18)13-23-26-14-22(30-23)20-9-16(2)10-21(12-20)27-8-7-25-24(27)28/h5-6,9-12,14H,4,7-8,13,15H2,1-3H3,(H,25,28)
• InChIKey: VUTFJNUFYXDFIS-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one?

The IUPAC name of 1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one (CID 153120513) is 1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one.

What is the SMILES notation for 1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one?

The canonical SMILES for 1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one is CCOCc1ccc(C)c(Cc2ncc(-c3cc(C)cc(N4CCNC4=O)c3)o2)c1.

What is the InChIKey of 1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one?

The InChIKey is VUTFJNUFYXDFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-4-29-15-18-6-5-17(3)19(11-18)13-23-26-14-22(30-23)20-9-16(2)10-21(12-20)27-8-7-25-24(27)28/h5-6,9-12,14H,4,7-8,13,15H2,1-3H3,(H,25,28).

What are the key properties of 1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one?

1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one has a molecular weight of 405.50 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one is sourced from PubChem (CID 153120513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).