[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

C19H20N4O6 — CID 8646431

About [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 8646431) has the molecular formula C19H20N4O6 and a molecular weight of 400.39 g/mol. Its IUPAC name is [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

• Compound Name: [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
• PubChem CID: 8646431
• Molecular Formula: C19H20N4O6
• Molecular Weight: 400.39 g/mol
• Exact Mass: 400.14
• IUPAC Name: [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
• SMILES: Cc1cc(C(=O)OCC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)on1
• InChI: InChI=1S/C19H20N4O6/c1-12-10-14(29-22-12)16(25)28-11-15(24)21-23-17(26)19(2,20-18(23)27)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,20,27)(H,21,24)/t19-/m0/s1
• InChIKey: PHDVBYXLUFEURZ-IBGZPJMESA-N
• XLogP: 1.11
• TPSA: 130.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.39
LogP ≤ 5	1.11
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 [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?

The IUPAC name of [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (CID 8646431) is [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.

What is the SMILES notation for [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?

The canonical SMILES for [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)OCC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)on1.

What is the InChIKey of [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?

The InChIKey is PHDVBYXLUFEURZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20N4O6/c1-12-10-14(29-22-12)16(25)28-11-15(24)21-23-17(26)19(2,20-18(23)27)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,20,27)(H,21,24)/t19-/m0/s1.

What are the key properties of [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?

[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 400.39 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 8646431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).