(5R)-5-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione

C19H17N5O3 — CID 40790671

About (5R)-5-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione

(5R)-5-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 40790671) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is (5R)-5-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 40790671
• Molecular Formula: C19H17N5O3
• Molecular Weight: 363.38 g/mol
• Exact Mass: 363.13
• IUPAC Name: (5R)-5-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
• SMILES: Cc1ccc([C@@]2(C)NC(=O)N(Cc3nc(-c4cccnc4)no3)C2=O)cc1
• InChI: InChI=1S/C19H17N5O3/c1-12-5-7-14(8-6-12)19(2)17(25)24(18(26)22-19)11-15-21-16(23-27-15)13-4-3-9-20-10-13/h3-10H,11H2,1-2H3,(H,22,26)/t19-/m1/s1
• InChIKey: GSCOANHYUFNLIO-LJQANCHMSA-N
• XLogP: 2.41
• TPSA: 101.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.38
LogP ≤ 5	2.41
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-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione (CID 40790671) is (5R)-5-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione is Cc1ccc([C@@]2(C)NC(=O)N(Cc3nc(-c4cccnc4)no3)C2=O)cc1.

What is the InChIKey of (5R)-5-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is GSCOANHYUFNLIO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-12-5-7-14(8-6-12)19(2)17(25)24(18(26)22-19)11-15-21-16(23-27-15)13-4-3-9-20-10-13/h3-10H,11H2,1-2H3,(H,22,26)/t19-/m1/s1.

What are the key properties of (5R)-5-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?

(5R)-5-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 363.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 40790671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).