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

C21H20N4O5 — CID 92786855

IUPAC(5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)n2)c(OC)c1
InChIInChI=1S/C21H20N4O5/c1-21(13-7-5-4-6-8-13)19(26)25(20(27)23-21)12-17-22-18(24-30-17)15-10-9-14(28-2)11-16(15)29-3/h4-11H,12H2,1-3H3,(H,23,27)/t21-/m0/s1
InChIKeyWNMVUXMFUPOIKO-NRFANRHFSA-N
MW408.41 g/mol
LogP2.72
Rot. Bonds6

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

(5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 92786855) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is (5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID92786855
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name(5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)n2)c(OC)c1
InChIInChI=1S/C21H20N4O5/c1-21(13-7-5-4-6-8-13)19(26)25(20(27)23-21)12-17-22-18(24-30-17)15-10-9-14(28-2)11-16(15)29-3/h4-11H,12H2,1-3H3,(H,23,27)/t21-/m0/s1
InChIKeyWNMVUXMFUPOIKO-NRFANRHFSA-N
XLogP2.72
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 55411798
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 47094332
5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 55412063
(5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-hexyl-5-methylimidazolidine-2,4-dione
CID 97098327
4-[1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 45281262
3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 55376162
3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 43038665
5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 47094335
(5R)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 95142897
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 51202784
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 55578979
(5R)-5-methyl-5-phenyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 95275420

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 92786855) is (5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)n2)c(OC)c1.
What is the InChIKey of (5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is WNMVUXMFUPOIKO-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-21(13-7-5-4-6-8-13)19(26)25(20(27)23-21)12-17-22-18(24-30-17)15-10-9-14(28-2)11-16(15)29-3/h4-11H,12H2,1-3H3,(H,23,27)/t21-/m0/s1.
What are the key properties of (5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 408.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 92786855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).