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

C23H24N4O4 — CID 55327621

IUPAC5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESCCCCC1(c2ccccc2)NC(=O)N(Cc2nc(-c3cccc(OC)c3)no2)C1=O
InChIInChI=1S/C23H24N4O4/c1-3-4-13-23(17-10-6-5-7-11-17)21(28)27(22(29)25-23)15-19-24-20(26-31-19)16-9-8-12-18(14-16)30-2/h5-12,14H,3-4,13,15H2,1-2H3,(H,25,29)
InChIKeyBPNQDCXMCKYFOK-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.88
Rot. Bonds8

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

5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 55327621) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID55327621
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESCCCCC1(c2ccccc2)NC(=O)N(Cc2nc(-c3cccc(OC)c3)no2)C1=O
InChIInChI=1S/C23H24N4O4/c1-3-4-13-23(17-10-6-5-7-11-17)21(28)27(22(29)25-23)15-19-24-20(26-31-19)16-9-8-12-18(14-16)30-2/h5-12,14H,3-4,13,15H2,1-2H3,(H,25,29)
InChIKeyBPNQDCXMCKYFOK-UHFFFAOYSA-N
XLogP3.88
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.88
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

5-butyl-5-phenyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 24670860
5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 55412063
5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 24521120
5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 18275723
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 47094332
(5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7621342
(5S)-5-(2-chloro-4-fluorophenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 99115182
5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 51227984
(5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 92786855
3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dipropylimidazolidine-2,4-dione
CID 32546193
3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 39061235
(5R)-5-ethyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 51982999

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione (CID 55327621) is 5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione is CCCCC1(c2ccccc2)NC(=O)N(Cc2nc(-c3cccc(OC)c3)no2)C1=O.
What is the InChIKey of 5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is BPNQDCXMCKYFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-3-4-13-23(17-10-6-5-7-11-17)21(28)27(22(29)25-23)15-19-24-20(26-31-19)16-9-8-12-18(14-16)30-2/h5-12,14H,3-4,13,15H2,1-2H3,(H,25,29).
What are the key properties of 5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione?
5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 420.47 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 55327621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).