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

C20H17BrN4O4 — CID 92786945

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

(5R)-5-(3-bromophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 92786945) has the molecular formula C20H17BrN4O4 and a molecular weight of 457.28 g/mol. Its IUPAC name is (5R)-5-(3-bromophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-(3-bromophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 92786945
• Molecular Formula: C20H17BrN4O4
• Molecular Weight: 457.28 g/mol
• Exact Mass: 456.04
• IUPAC Name: (5R)-5-(3-bromophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
• SMILES: COc1ccc(-c2nnc(CN3C(=O)N[C@](C)(c4cccc(Br)c4)C3=O)o2)cc1
• InChI: InChI=1S/C20H17BrN4O4/c1-20(13-4-3-5-14(21)10-13)18(26)25(19(27)22-20)11-16-23-24-17(29-16)12-6-8-15(28-2)9-7-12/h3-10H,11H2,1-2H3,(H,22,27)/t20-/m1/s1
• InChIKey: SQUFYDQJDUZSFP-HXUWFJFHSA-N
• XLogP: 3.47
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.28
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-bromophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of (5R)-5-(3-bromophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 92786945) is (5R)-5-(3-bromophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-(3-bromophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-(3-bromophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione is COc1ccc(-c2nnc(CN3C(=O)N[C@](C)(c4cccc(Br)c4)C3=O)o2)cc1.

What is the InChIKey of (5R)-5-(3-bromophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is SQUFYDQJDUZSFP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H17BrN4O4/c1-20(13-4-3-5-14(21)10-13)18(26)25(19(27)22-20)11-16-23-24-17(29-16)12-6-8-15(28-2)9-7-12/h3-10H,11H2,1-2H3,(H,22,27)/t20-/m1/s1.

What are the key properties of (5R)-5-(3-bromophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione?

(5R)-5-(3-bromophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 457.28 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(3-bromophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 92786945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).