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

C24H27N3O3 — CID 157211390

IUPAC1-[5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one
SMILESCCOCc1ccc(C)c(Cc2ncc(-c3ccc(C)c(N4CCNC4=O)c3)o2)c1
InChIInChI=1S/C24H27N3O3/c1-4-29-15-18-7-5-16(2)20(11-18)13-23-26-14-22(30-23)19-8-6-17(3)21(12-19)27-10-9-25-24(27)28/h5-8,11-12,14H,4,9-10,13,15H2,1-3H3,(H,25,28)
InChIKeyARXUAMOYLCYPLJ-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.62
Rot. Bonds7

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

1-[5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one (PubChem CID 157211390) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one
PubChem CID157211390
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-[5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one
SMILESCCOCc1ccc(C)c(Cc2ncc(-c3ccc(C)c(N4CCNC4=O)c3)o2)c1
InChIInChI=1S/C24H27N3O3/c1-4-29-15-18-7-5-16(2)20(11-18)13-23-26-14-22(30-23)19-8-6-17(3)21(12-19)27-10-9-25-24(27)28/h5-8,11-12,14H,4,9-10,13,15H2,1-3H3,(H,25,28)
InChIKeyARXUAMOYLCYPLJ-UHFFFAOYSA-N
XLogP4.62
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one?
The IUPAC name of 1-[5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one (CID 157211390) is 1-[5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one?
The canonical SMILES for 1-[5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one is CCOCc1ccc(C)c(Cc2ncc(-c3ccc(C)c(N4CCNC4=O)c3)o2)c1.
What is the InChIKey of 1-[5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one?
The InChIKey is ARXUAMOYLCYPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-4-29-15-18-7-5-16(2)20(11-18)13-23-26-14-22(30-23)19-8-6-17(3)21(12-19)27-10-9-25-24(27)28/h5-8,11-12,14H,4,9-10,13,15H2,1-3H3,(H,25,28).
What are the key properties of 1-[5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one?
1-[5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-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-[5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one is sourced from PubChem (CID 157211390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).