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

C17H17N3O5 — CID 47018908

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
SMILESCCOc1ccccc1N1C(=O)C(=O)N(Cc2c(C)noc2C)C1=O
InChIInChI=1S/C17H17N3O5/c1-4-24-14-8-6-5-7-13(14)20-16(22)15(21)19(17(20)23)9-12-10(2)18-25-11(12)3/h5-8H,4,9H2,1-3H3
InChIKeyPUFGNLWVNJMNBF-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.19
Rot. Bonds5

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione (PubChem CID 47018908) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
PubChem CID47018908
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
SMILESCCOc1ccccc1N1C(=O)C(=O)N(Cc2c(C)noc2C)C1=O
InChIInChI=1S/C17H17N3O5/c1-4-24-14-8-6-5-7-13(14)20-16(22)15(21)19(17(20)23)9-12-10(2)18-25-11(12)3/h5-8H,4,9H2,1-3H3
InChIKeyPUFGNLWVNJMNBF-UHFFFAOYSA-N
XLogP2.19
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.19
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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione (CID 47018908) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione is CCOc1ccccc1N1C(=O)C(=O)N(Cc2c(C)noc2C)C1=O.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione?
The InChIKey is PUFGNLWVNJMNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-4-24-14-8-6-5-7-13(14)20-16(22)15(21)19(17(20)23)9-12-10(2)18-25-11(12)3/h5-8H,4,9H2,1-3H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione has a molecular weight of 343.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 47018908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).