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

C18H18N6O3 — CID 71913747

IUPAC3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCn1cc(C2(C)NC(=O)N(Cc3nc(Cc4ccccc4)no3)C2=O)cn1
InChIInChI=1S/C18H18N6O3/c1-18(13-9-19-23(2)10-13)16(25)24(17(26)21-18)11-15-20-14(22-27-15)8-12-6-4-3-5-7-12/h3-7,9-10H,8,11H2,1-2H3,(H,21,26)
InChIKeyZEJJJSAMPKPCJG-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.36
Rot. Bonds5

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

3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione (PubChem CID 71913747) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
PubChem CID71913747
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCn1cc(C2(C)NC(=O)N(Cc3nc(Cc4ccccc4)no3)C2=O)cn1
InChIInChI=1S/C18H18N6O3/c1-18(13-9-19-23(2)10-13)16(25)24(17(26)21-18)11-15-20-14(22-27-15)8-12-6-4-3-5-7-12/h3-7,9-10H,8,11H2,1-2H3,(H,21,26)
InChIKeyZEJJJSAMPKPCJG-UHFFFAOYSA-N
XLogP1.36
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 97090177
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-propylimidazolidine-2,4-dione
CID 94870336
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 56812667
(5R)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 95142897
4-[[4-methyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoic acid
CID 132971291
(5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 97253036
(5S)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 97253035
5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione
CID 71914522
(5R)-5-methyl-5-phenyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 95275420
(5R)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 36526371
(5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
CID 94825622

Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione (CID 71913747) is 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione is Cn1cc(C2(C)NC(=O)N(Cc3nc(Cc4ccccc4)no3)C2=O)cn1.
What is the InChIKey of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The InChIKey is ZEJJJSAMPKPCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c1-18(13-9-19-23(2)10-13)16(25)24(17(26)21-18)11-15-20-14(22-27-15)8-12-6-4-3-5-7-12/h3-7,9-10H,8,11H2,1-2H3,(H,21,26).
What are the key properties of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 366.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 71913747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).