3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione

C18H22N4O3 — CID 51108851

IUPAC3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccccc1C1(C)NC(=O)N(Cc2nc(C(C)(C)C)no2)C1=O
InChIInChI=1S/C18H22N4O3/c1-11-8-6-7-9-12(11)18(5)15(23)22(16(24)20-18)10-13-19-14(21-25-13)17(2,3)4/h6-9H,10H2,1-5H3,(H,20,24)
InChIKeyLUHZWGKKLFJYSK-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.64
Rot. Bonds3

About 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione

3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione (PubChem CID 51108851) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
PubChem CID51108851
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccccc1C1(C)NC(=O)N(Cc2nc(C(C)(C)C)no2)C1=O
InChIInChI=1S/C18H22N4O3/c1-11-8-6-7-9-12(11)18(5)15(23)22(16(24)20-18)10-13-19-14(21-25-13)17(2,3)4/h6-9H,10H2,1-5H3,(H,20,24)
InChIKeyLUHZWGKKLFJYSK-UHFFFAOYSA-N
XLogP2.64
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.64
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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione (CID 51108851) is 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione is Cc1ccccc1C1(C)NC(=O)N(Cc2nc(C(C)(C)C)no2)C1=O.
What is the InChIKey of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is LUHZWGKKLFJYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11-8-6-7-9-12(11)18(5)15(23)22(16(24)20-18)10-13-19-14(21-25-13)17(2,3)4/h6-9H,10H2,1-5H3,(H,20,24).
What are the key properties of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione?
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 51108851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).