(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione

C20H17N3O6 — CID 9320008

About (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione

(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 9320008) has the molecular formula C20H17N3O6 and a molecular weight of 395.37 g/mol. Its IUPAC name is (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 9320008
• Molecular Formula: C20H17N3O6
• Molecular Weight: 395.37 g/mol
• Exact Mass: 395.11
• IUPAC Name: (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione
• SMILES: C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cc(-c3ccco3)on2)C1=O
• InChI: InChI=1S/C20H17N3O6/c1-20(12-4-5-15-16(9-12)28-8-7-27-15)18(24)23(19(25)21-20)11-13-10-17(29-22-13)14-3-2-6-26-14/h2-6,9-10H,7-8,11H2,1H3,(H,21,25)/t20-/m0/s1
• InChIKey: HQHDHMPGKNYVAX-FQEVSTJZSA-N
• XLogP: 2.67
• TPSA: 107.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.37
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
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 (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 9320008) is (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione is C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cc(-c3ccco3)on2)C1=O.

What is the InChIKey of (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is HQHDHMPGKNYVAX-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H17N3O6/c1-20(12-4-5-15-16(9-12)28-8-7-27-15)18(24)23(19(25)21-20)11-13-10-17(29-22-13)14-3-2-6-26-14/h2-6,9-10H,7-8,11H2,1H3,(H,21,25)/t20-/m0/s1.

What are the key properties of (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione?

(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 395.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 9320008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).