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

C15H14F2N4O3 — CID 51075953

IUPAC5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCCc1noc(CN2C(=O)NC(C)(c3cc(F)ccc3F)C2=O)n1
InChIInChI=1S/C15H14F2N4O3/c1-3-11-18-12(24-20-11)7-21-13(22)15(2,19-14(21)23)9-6-8(16)4-5-10(9)17/h4-6H,3,7H2,1-2H3,(H,19,23)
InChIKeySNCZVRDIQVJVJP-UHFFFAOYSA-N
MW336.30 g/mol
LogP1.88
Rot. Bonds4

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

5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 51075953) has the molecular formula C15H14F2N4O3 and a molecular weight of 336.30 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID51075953
Molecular FormulaC15H14F2N4O3
Molecular Weight336.30 g/mol
Exact Mass336.10
IUPAC Name5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCCc1noc(CN2C(=O)NC(C)(c3cc(F)ccc3F)C2=O)n1
InChIInChI=1S/C15H14F2N4O3/c1-3-11-18-12(24-20-11)7-21-13(22)15(2,19-14(21)23)9-6-8(16)4-5-10(9)17/h4-6H,3,7H2,1-2H3,(H,19,23)
InChIKeySNCZVRDIQVJVJP-UHFFFAOYSA-N
XLogP1.88
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51096214
(5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
CID 94825622
(5S)-5-(2,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7801183
5-(2,4-dichlorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 43030300
5-(2,5-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529238
5-(3,4-difluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18100275
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 46528612
(5R)-5-(2,5-difluorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7562098
3-[(4-bromo-2-fluorophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 55374656
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 43075450
(5R)-5-(2-fluorophenyl)-5-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 94815184
3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 46529339

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione (CID 51075953) is 5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione is CCc1noc(CN2C(=O)NC(C)(c3cc(F)ccc3F)C2=O)n1.
What is the InChIKey of 5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is SNCZVRDIQVJVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O3/c1-3-11-18-12(24-20-11)7-21-13(22)15(2,19-14(21)23)9-6-8(16)4-5-10(9)17/h4-6H,3,7H2,1-2H3,(H,19,23).
What are the key properties of 5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione?
5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 336.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 51075953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).