(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione

C24H20N4O4 — CID 41157193

About (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 41157193) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 41157193
• Molecular Formula: C24H20N4O4
• Molecular Weight: 428.45 g/mol
• Exact Mass: 428.15
• IUPAC Name: (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2cc([C@]3(C)NC(=O)N(Cc4nnc(-c5ccccc5)o4)C3=O)ccc2c1
• InChI: InChI=1S/C24H20N4O4/c1-24(18-10-8-17-13-19(31-2)11-9-16(17)12-18)22(29)28(23(30)25-24)14-20-26-27-21(32-20)15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,25,30)/t24-/m0/s1
• InChIKey: LYYBYXAENJVXMH-DEOSSOPVSA-N
• XLogP: 3.87
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.45
LogP ≤ 5	3.87
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 (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione (CID 41157193) is (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2cc([C@]3(C)NC(=O)N(Cc4nnc(-c5ccccc5)o4)C3=O)ccc2c1.

What is the InChIKey of (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is LYYBYXAENJVXMH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-24(18-10-8-17-13-19(31-2)11-9-16(17)12-18)22(29)28(23(30)25-24)14-20-26-27-21(32-20)15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,25,30)/t24-/m0/s1.

What are the key properties of (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione?

(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 428.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 41157193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).