1-(2-ethoxyphenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione

C16H15N3O5 — CID 17471127

IUPAC1-(2-ethoxyphenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione
SMILESCCOc1ccccc1N1C(=O)C(=O)N(Cc2cc(C)no2)C1=O
InChIInChI=1S/C16H15N3O5/c1-3-23-13-7-5-4-6-12(13)19-15(21)14(20)18(16(19)22)9-11-8-10(2)17-24-11/h4-8H,3,9H2,1-2H3
InChIKeyUZQDXQUXKKUEGB-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.88
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione

1-(2-ethoxyphenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 17471127) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID17471127
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name1-(2-ethoxyphenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione
SMILESCCOc1ccccc1N1C(=O)C(=O)N(Cc2cc(C)no2)C1=O
InChIInChI=1S/C16H15N3O5/c1-3-23-13-7-5-4-6-12(13)19-15(21)14(20)18(16(19)22)9-11-8-10(2)17-24-11/h4-8H,3,9H2,1-2H3
InChIKeyUZQDXQUXKKUEGB-UHFFFAOYSA-N
XLogP1.88
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione (CID 17471127) is 1-(2-ethoxyphenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione is CCOc1ccccc1N1C(=O)C(=O)N(Cc2cc(C)no2)C1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is UZQDXQUXKKUEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-3-23-13-7-5-4-6-12(13)19-15(21)14(20)18(16(19)22)9-11-8-10(2)17-24-11/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione?
1-(2-ethoxyphenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 329.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 17471127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).