(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione

C21H19N3O4 — CID 9441594

About (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 9441594) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 9441594
• Molecular Formula: C21H19N3O4
• Molecular Weight: 377.40 g/mol
• Exact Mass: 377.14
• IUPAC Name: (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione
• SMILES: C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2cc(-c3ccco3)on2)C1=O
• InChI: InChI=1S/C21H19N3O4/c1-21(15-8-7-13-4-2-5-14(13)10-15)19(25)24(20(26)22-21)12-16-11-18(28-23-16)17-6-3-9-27-17/h3,6-11H,2,4-5,12H2,1H3,(H,22,26)/t21-/m1/s1
• InChIKey: DZKISULUIFSTGW-OAQYLSRUSA-N
• XLogP: 3.39
• TPSA: 88.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.40
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-1H-inden-5-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 9441594) is (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2cc(-c3ccco3)on2)C1=O.

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

The InChIKey is DZKISULUIFSTGW-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-21(15-8-7-13-4-2-5-14(13)10-15)19(25)24(20(26)22-21)12-16-11-18(28-23-16)17-6-3-9-27-17/h3,6-11H,2,4-5,12H2,1H3,(H,22,26)/t21-/m1/s1.

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

(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 377.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 9441594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).