(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione

C20H17N3O5S — CID 8891641

About (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione

(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 8891641) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 8891641
• Molecular Formula: C20H17N3O5S
• Molecular Weight: 411.44 g/mol
• Exact Mass: 411.09
• IUPAC Name: (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
• SMILES: C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O
• InChI: InChI=1S/C20H17N3O5S/c1-20(12-4-5-14-15(9-12)27-7-6-26-14)18(24)23(19(25)22-20)10-13-11-28-17(21-13)16-3-2-8-29-16/h2-5,8-9,11H,6-7,10H2,1H3,(H,22,25)/t20-/m1/s1
• InChIKey: RKIRSMKQLLJPKI-HXUWFJFHSA-N
• XLogP: 3.14
• TPSA: 93.90 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	411.44
LogP ≤ 5	3.14
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 (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione (CID 8891641) is (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione is C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O.

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

The InChIKey is RKIRSMKQLLJPKI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H17N3O5S/c1-20(12-4-5-14-15(9-12)27-7-6-26-14)18(24)23(19(25)22-20)10-13-11-28-17(21-13)16-3-2-8-29-16/h2-5,8-9,11H,6-7,10H2,1H3,(H,22,25)/t20-/m1/s1.

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

(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 411.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 8891641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).