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

C19H21F3N4O3S — CID 59694327

IUPAC1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
SMILESCC(C)(C)c1nc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)no1
InChIInChI=1S/C19H21F3N4O3S/c1-17(2,3)14-23-13(24-29-14)10-25-16(28)26(15(27)18(25,4)5)11-6-8-12(9-7-11)30-19(20,21)22/h6-9H,10H2,1-5H3
InChIKeyJRIVVPJQOKIUOU-UHFFFAOYSA-N
MW442.46 g/mol
LogP4.73
Rot. Bonds4

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

1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione (PubChem CID 59694327) has the molecular formula C19H21F3N4O3S and a molecular weight of 442.46 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
PubChem CID59694327
Molecular FormulaC19H21F3N4O3S
Molecular Weight442.46 g/mol
Exact Mass442.13
IUPAC Name1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
SMILESCC(C)(C)c1nc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)no1
InChIInChI=1S/C19H21F3N4O3S/c1-17(2,3)14-23-13(24-29-14)10-25-16(28)26(15(27)18(25,4)5)11-6-8-12(9-7-11)30-19(20,21)22/h6-9H,10H2,1-5H3
InChIKeyJRIVVPJQOKIUOU-UHFFFAOYSA-N
XLogP4.73
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione (CID 59694327) is 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione is CC(C)(C)c1nc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)no1.
What is the InChIKey of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is JRIVVPJQOKIUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3S/c1-17(2,3)14-23-13(24-29-14)10-25-16(28)26(15(27)18(25,4)5)11-6-8-12(9-7-11)30-19(20,21)22/h6-9H,10H2,1-5H3.
What are the key properties of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 442.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 59694327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).