(5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

C23H17FN4O3 — CID 40812144

IUPAC(5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESC[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2nc(-c3ccc(F)cc3)no2)C1=O
InChIInChI=1S/C23H17FN4O3/c1-23(18-8-4-6-14-5-2-3-7-17(14)18)21(29)28(22(30)26-23)13-19-25-20(27-31-19)15-9-11-16(24)12-10-15/h2-12H,13H2,1H3,(H,26,30)/t23-/m1/s1
InChIKeyMRLIYMWAZJDLGG-HSZRJFAPSA-N
MW416.41 g/mol
LogP4.00
Rot. Bonds4

About (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

(5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 40812144) has the molecular formula C23H17FN4O3 and a molecular weight of 416.41 g/mol. Its IUPAC name is (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID40812144
Molecular FormulaC23H17FN4O3
Molecular Weight416.41 g/mol
Exact Mass416.13
IUPAC Name(5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESC[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2nc(-c3ccc(F)cc3)no2)C1=O
InChIInChI=1S/C23H17FN4O3/c1-23(18-8-4-6-14-5-2-3-7-17(14)18)21(29)28(22(30)26-23)13-19-25-20(27-31-19)15-9-11-16(24)12-10-15/h2-12H,13H2,1H3,(H,26,30)/t23-/m1/s1
InChIKeyMRLIYMWAZJDLGG-HSZRJFAPSA-N
XLogP4.00
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 54.00
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-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 46606466
5-(2,4-dichlorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 43030300
5-(3,4-difluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18100275
5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 56520117
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 47094332
(5S)-5-(2-chloro-4-fluorophenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 99115182
5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 78766969
5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 18275723
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51096214
3-ethyl-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42915150
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7180024
(5R)-5-(2-fluorophenyl)-5-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 94815184

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 40812144) is (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2nc(-c3ccc(F)cc3)no2)C1=O.
What is the InChIKey of (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is MRLIYMWAZJDLGG-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H17FN4O3/c1-23(18-8-4-6-14-5-2-3-7-17(14)18)21(29)28(22(30)26-23)13-19-25-20(27-31-19)15-9-11-16(24)12-10-15/h2-12H,13H2,1H3,(H,26,30)/t23-/m1/s1.
What are the key properties of (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
(5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 416.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 40812144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).