5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione

C18H20N4O3 — CID 47094462

IUPAC5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCCc1ccc(-c2noc(CN3C(=O)NC(C)(C4CC4)C3=O)n2)cc1
InChIInChI=1S/C18H20N4O3/c1-3-11-4-6-12(7-5-11)15-19-14(25-21-15)10-22-16(23)18(2,13-8-9-13)20-17(22)24/h4-7,13H,3,8-10H2,1-2H3,(H,20,24)
InChIKeyYMEWQFLLAHLSCZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.52
Rot. Bonds5

About 5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione

5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 47094462) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID47094462
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCCc1ccc(-c2noc(CN3C(=O)NC(C)(C4CC4)C3=O)n2)cc1
InChIInChI=1S/C18H20N4O3/c1-3-11-4-6-12(7-5-11)15-19-14(25-21-15)10-22-16(23)18(2,13-8-9-13)20-17(22)24/h4-7,13H,3,8-10H2,1-2H3,(H,20,24)
InChIKeyYMEWQFLLAHLSCZ-UHFFFAOYSA-N
XLogP2.52
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 47094462) is 5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione is CCc1ccc(-c2noc(CN3C(=O)NC(C)(C4CC4)C3=O)n2)cc1.
What is the InChIKey of 5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is YMEWQFLLAHLSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-3-11-4-6-12(7-5-11)15-19-14(25-21-15)10-22-16(23)18(2,13-8-9-13)20-17(22)24/h4-7,13H,3,8-10H2,1-2H3,(H,20,24).
What are the key properties of 5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 340.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 47094462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).