N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C22H22N6O4 — CID 55628524

About N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55628524) has the molecular formula C22H22N6O4 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 55628524
• Molecular Formula: C22H22N6O4
• Molecular Weight: 434.46 g/mol
• Exact Mass: 434.17
• IUPAC Name: N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: CC1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2nc(-c3cccnc3)no2)C1=O
• InChI: InChI=1S/C22H22N6O4/c1-22(12-11-15-6-3-2-4-7-15)20(30)28(21(31)25-22)26-17(29)9-10-18-24-19(27-32-18)16-8-5-13-23-14-16/h2-8,13-14H,9-12H2,1H3,(H,25,31)(H,26,29)
• InChIKey: RFZOHVZFLKFHIT-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 130.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.46
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?

The IUPAC name of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55628524) is N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

What is the SMILES notation for N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?

The canonical SMILES for N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CC1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2nc(-c3cccnc3)no2)C1=O.

What is the InChIKey of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?

The InChIKey is RFZOHVZFLKFHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O4/c1-22(12-11-15-6-3-2-4-7-15)20(30)28(21(31)25-22)26-17(29)9-10-18-24-19(27-32-18)16-8-5-13-23-14-16/h2-8,13-14H,9-12H2,1H3,(H,25,31)(H,26,29).

What are the key properties of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?

N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 434.46 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55628524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).