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

C18H22N4O4 — CID 55578979

IUPAC3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(Cc3nc(C(C)(C)C)no3)C2=O)cc1
InChIInChI=1S/C18H22N4O4/c1-17(2,3)14-19-13(26-21-14)10-22-15(23)18(4,20-16(22)24)11-6-8-12(25-5)9-7-11/h6-9H,10H2,1-5H3,(H,20,24)
InChIKeyPJHIKXOUDLJIDA-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.34
Rot. Bonds4

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

3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 55578979) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID55578979
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(Cc3nc(C(C)(C)C)no3)C2=O)cc1
InChIInChI=1S/C18H22N4O4/c1-17(2,3)14-19-13(26-21-14)10-22-15(23)18(4,20-16(22)24)11-6-8-12(25-5)9-7-11/h6-9H,10H2,1-5H3,(H,20,24)
InChIKeyPJHIKXOUDLJIDA-UHFFFAOYSA-N
XLogP2.34
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 120862676
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 47094332
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
CID 51108851
3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 55411798
(5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 92786855
5-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 24576777
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
5-(3,4-dimethoxyphenyl)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 18166894
3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 47094602
(5R)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 95142897
(5R)-5-methyl-5-phenyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 95275420
5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 47094335

Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 55578979) is 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc(C2(C)NC(=O)N(Cc3nc(C(C)(C)C)no3)C2=O)cc1.
What is the InChIKey of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is PJHIKXOUDLJIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-17(2,3)14-19-13(26-21-14)10-22-15(23)18(4,20-16(22)24)11-6-8-12(25-5)9-7-11/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-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 358.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 55578979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).