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

C15H15FN4O3 — CID 51096214

IUPAC3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCCc1noc(CN2C(=O)NC(C)(c3ccccc3F)C2=O)n1
InChIInChI=1S/C15H15FN4O3/c1-3-11-17-12(23-19-11)8-20-13(21)15(2,18-14(20)22)9-6-4-5-7-10(9)16/h4-7H,3,8H2,1-2H3,(H,18,22)
InChIKeyKQQFFYVTQNIWFC-UHFFFAOYSA-N
MW318.31 g/mol
LogP1.74
Rot. Bonds4

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

3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 51096214) has the molecular formula C15H15FN4O3 and a molecular weight of 318.31 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID51096214
Molecular FormulaC15H15FN4O3
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC Name3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCCc1noc(CN2C(=O)NC(C)(c3ccccc3F)C2=O)n1
InChIInChI=1S/C15H15FN4O3/c1-3-11-17-12(23-19-11)8-20-13(21)15(2,18-14(20)22)9-6-4-5-7-10(9)16/h4-7H,3,8H2,1-2H3,(H,18,22)
InChIKeyKQQFFYVTQNIWFC-UHFFFAOYSA-N
XLogP1.74
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 51.74
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 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 51096214) is 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione is CCc1noc(CN2C(=O)NC(C)(c3ccccc3F)C2=O)n1.
What is the InChIKey of 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is KQQFFYVTQNIWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3/c1-3-11-17-12(23-19-11)8-20-13(21)15(2,18-14(20)22)9-6-4-5-7-10(9)16/h4-7H,3,8H2,1-2H3,(H,18,22).
What are the key properties of 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 318.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 51096214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).