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

C18H19N3O5 — CID 24577195

IUPAC1-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione
SMILESCCCCN1C(=O)C(=O)N(Cc2cc(-c3ccc(OC)cc3)no2)C1=O
InChIInChI=1S/C18H19N3O5/c1-3-4-9-20-16(22)17(23)21(18(20)24)11-14-10-15(19-26-14)12-5-7-13(25-2)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyXJPRYHILWLJOAI-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.44
Rot. Bonds7

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

1-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione (PubChem CID 24577195) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 1-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione
PubChem CID24577195
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name1-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione
SMILESCCCCN1C(=O)C(=O)N(Cc2cc(-c3ccc(OC)cc3)no2)C1=O
InChIInChI=1S/C18H19N3O5/c1-3-4-9-20-16(22)17(23)21(18(20)24)11-14-10-15(19-26-14)12-5-7-13(25-2)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyXJPRYHILWLJOAI-UHFFFAOYSA-N
XLogP2.44
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.44
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-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione (CID 24577195) is 1-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione is CCCCN1C(=O)C(=O)N(Cc2cc(-c3ccc(OC)cc3)no2)C1=O.
What is the InChIKey of 1-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione?
The InChIKey is XJPRYHILWLJOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-3-4-9-20-16(22)17(23)21(18(20)24)11-14-10-15(19-26-14)12-5-7-13(25-2)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3.
What are the key properties of 1-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione?
1-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione has a molecular weight of 357.37 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 24577195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).