(5R)-5-(1,3-benzodioxol-5-yl)-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione

C18H14N4O6 — CID 40917437

About (5R)-5-(1,3-benzodioxol-5-yl)-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(1,3-benzodioxol-5-yl)-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 40917437) has the molecular formula C18H14N4O6 and a molecular weight of 382.33 g/mol. Its IUPAC name is (5R)-5-(1,3-benzodioxol-5-yl)-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-(1,3-benzodioxol-5-yl)-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 40917437
• Molecular Formula: C18H14N4O6
• Molecular Weight: 382.33 g/mol
• Exact Mass: 382.09
• IUPAC Name: (5R)-5-(1,3-benzodioxol-5-yl)-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
• SMILES: C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2nnc(-c3ccco3)o2)C1=O
• InChI: InChI=1S/C18H14N4O6/c1-18(10-4-5-11-13(7-10)27-9-26-11)16(23)22(17(24)19-18)8-14-20-21-15(28-14)12-3-2-6-25-12/h2-7H,8-9H2,1H3,(H,19,24)/t18-/m1/s1
• InChIKey: BASZDRCQEIWUQL-GOSISDBHSA-N
• XLogP: 2.03
• TPSA: 119.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.33
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1,3-benzodioxol-5-yl)-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of (5R)-5-(1,3-benzodioxol-5-yl)-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 40917437) is (5R)-5-(1,3-benzodioxol-5-yl)-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-5-(1,3-benzodioxol-5-yl)-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2nnc(-c3ccco3)o2)C1=O.

What is the InChIKey of (5R)-5-(1,3-benzodioxol-5-yl)-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is BASZDRCQEIWUQL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H14N4O6/c1-18(10-4-5-11-13(7-10)27-9-26-11)16(23)22(17(24)19-18)8-14-20-21-15(28-14)12-3-2-6-25-12/h2-7H,8-9H2,1H3,(H,19,24)/t18-/m1/s1.

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

(5R)-5-(1,3-benzodioxol-5-yl)-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 382.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(1,3-benzodioxol-5-yl)-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 40917437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).