(5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione

C17H20N4O3 — CID 94870336

IUPAC(5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(C)NC(=O)N(Cc2nc(Cc3ccccc3)no2)C1=O
InChIInChI=1S/C17H20N4O3/c1-3-9-17(2)15(22)21(16(23)19-17)11-14-18-13(20-24-14)10-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,23)/t17-/m1/s1
InChIKeyZNENPCXLRWISLF-QGZVFWFLSA-N
MW328.37 g/mol
LogP2.27
Rot. Bonds6

About (5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione

(5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione (PubChem CID 94870336) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione
PubChem CID94870336
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(C)NC(=O)N(Cc2nc(Cc3ccccc3)no2)C1=O
InChIInChI=1S/C17H20N4O3/c1-3-9-17(2)15(22)21(16(23)19-17)11-14-18-13(20-24-14)10-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,23)/t17-/m1/s1
InChIKeyZNENPCXLRWISLF-QGZVFWFLSA-N
XLogP2.27
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.27
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-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 56812667
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 71913747
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 43075450
(5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 97090177
(5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
CID 94825622
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51096214
(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170829
(5R)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 95142897
3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 46529339
(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180689
(4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 36509633
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylcyclopropan-1-amine
CID 113485424

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione (CID 94870336) is (5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione is CCC[C@@]1(C)NC(=O)N(Cc2nc(Cc3ccccc3)no2)C1=O.
What is the InChIKey of (5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione?
The InChIKey is ZNENPCXLRWISLF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-3-9-17(2)15(22)21(16(23)19-17)11-14-18-13(20-24-14)10-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,23)/t17-/m1/s1.
What are the key properties of (5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione?
(5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione has a molecular weight of 328.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 94870336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).