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

C19H23N3O3 — CID 56813236

IUPAC3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(Cc3ncc(C(C)(C)C)o3)C(=O)C2C)cc1
InChIInChI=1S/C19H23N3O3/c1-12-6-8-14(9-7-12)22-13(2)17(23)21(18(22)24)11-16-20-10-15(25-16)19(3,4)5/h6-10,13H,11H2,1-5H3
InChIKeyUPSMYILXSPJKRT-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.64
Rot. Bonds3

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

3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 56813236) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID56813236
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(Cc3ncc(C(C)(C)C)o3)C(=O)C2C)cc1
InChIInChI=1S/C19H23N3O3/c1-12-6-8-14(9-7-12)22-13(2)17(23)21(18(22)24)11-16-20-10-15(25-16)19(3,4)5/h6-10,13H,11H2,1-5H3
InChIKeyUPSMYILXSPJKRT-UHFFFAOYSA-N
XLogP3.64
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea
CID 47070693
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine
CID 52586784
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 71872519
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
CID 71928343
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928366
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928368
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylaniline
CID 72107248
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline
CID 52877914
1-[4-[(5-Tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one
CID 71979901
1-[(2-Tert-butyl-1,3-oxazol-5-yl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione
CID 102289139
5-Tert-butyl-2-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 45914266
5-tert-butyl-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 51964312

Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 56813236) is 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(Cc3ncc(C(C)(C)C)o3)C(=O)C2C)cc1.
What is the InChIKey of 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is UPSMYILXSPJKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-6-8-14(9-7-12)22-13(2)17(23)21(18(22)24)11-16-20-10-15(25-16)19(3,4)5/h6-10,13H,11H2,1-5H3.
What are the key properties of 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 341.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 56813236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).