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

C20H22N4O5 — CID 34609674

IUPAC1-cyclohexyl-3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione
SMILESCCOc1ccccc1-c1noc(CN2C(=O)C(=O)N(C3CCCCC3)C2=O)n1
InChIInChI=1S/C20H22N4O5/c1-2-28-15-11-7-6-10-14(15)17-21-16(29-22-17)12-23-18(25)19(26)24(20(23)27)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3
InChIKeyUGEFTYRJPSENNZ-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.76
Rot. Bonds6

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

1-cyclohexyl-3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione (PubChem CID 34609674) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclohexyl-3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione
PubChem CID34609674
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC Name1-cyclohexyl-3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione
SMILESCCOc1ccccc1-c1noc(CN2C(=O)C(=O)N(C3CCCCC3)C2=O)n1
InChIInChI=1S/C20H22N4O5/c1-2-28-15-11-7-6-10-14(15)17-21-16(29-22-17)12-23-18(25)19(26)24(20(23)27)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3
InChIKeyUGEFTYRJPSENNZ-UHFFFAOYSA-N
XLogP2.76
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-cyclohexyl-3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclohexyl-3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione (CID 34609674) is 1-cyclohexyl-3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclohexyl-3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclohexyl-3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione is CCOc1ccccc1-c1noc(CN2C(=O)C(=O)N(C3CCCCC3)C2=O)n1.
What is the InChIKey of 1-cyclohexyl-3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione?
The InChIKey is UGEFTYRJPSENNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-2-28-15-11-7-6-10-14(15)17-21-16(29-22-17)12-23-18(25)19(26)24(20(23)27)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3.
What are the key properties of 1-cyclohexyl-3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione?
1-cyclohexyl-3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione has a molecular weight of 398.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 34609674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).