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

C19H23N3O3 — CID 95596146

IUPAC(5S)-3-[(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)[C@@H]2C)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/t13-/m0/s1
InChIKeyUPSMYILXSPJKRT-ZDUSSCGKSA-N
MW341.41 g/mol
LogP3.64
Rot. Bonds3

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

(5S)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 95596146) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (5S)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID95596146
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(5S)-3-[(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)[C@@H]2C)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/t13-/m0/s1
InChIKeyUPSMYILXSPJKRT-ZDUSSCGKSA-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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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 95596146) is (5S)-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 (5S)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-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)[C@@H]2C)cc1.
What is the InChIKey of (5S)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is UPSMYILXSPJKRT-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of (5S)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
(5S)-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 (5S)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 95596146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).