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

C23H26N4O3 — CID 71243653

IUPAC1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one
SMILESCCOCc1ccc(C)c(Nc2ncc(-c3ccc(C)c(N4CCNC4=O)c3)o2)c1
InChIInChI=1S/C23H26N4O3/c1-4-29-14-17-7-5-15(2)19(11-17)26-22-25-13-21(30-22)18-8-6-16(3)20(12-18)27-10-9-24-23(27)28/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyMXADIQRUCRJPMS-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.77
Rot. Bonds7

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

1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one (PubChem CID 71243653) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one
PubChem CID71243653
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one
SMILESCCOCc1ccc(C)c(Nc2ncc(-c3ccc(C)c(N4CCNC4=O)c3)o2)c1
InChIInChI=1S/C23H26N4O3/c1-4-29-14-17-7-5-15(2)19(11-17)26-22-25-13-21(30-22)18-8-6-16(3)20(12-18)27-10-9-24-23(27)28/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyMXADIQRUCRJPMS-UHFFFAOYSA-N
XLogP4.77
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one?
The IUPAC name of 1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one (CID 71243653) is 1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one?
The canonical SMILES for 1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one is CCOCc1ccc(C)c(Nc2ncc(-c3ccc(C)c(N4CCNC4=O)c3)o2)c1.
What is the InChIKey of 1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one?
The InChIKey is MXADIQRUCRJPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-4-29-14-17-7-5-15(2)19(11-17)26-22-25-13-21(30-22)18-8-6-16(3)20(12-18)27-10-9-24-23(27)28/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,24,28)(H,25,26).
What are the key properties of 1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one?
1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one has a molecular weight of 406.49 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one is sourced from PubChem (CID 71243653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).