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

C18H16N4O5 — CID 92786731

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

(5S)-5-(furan-2-yl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 92786731) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is (5S)-5-(furan-2-yl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-(furan-2-yl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 92786731
• Molecular Formula: C18H16N4O5
• Molecular Weight: 368.35 g/mol
• Exact Mass: 368.11
• IUPAC Name: (5S)-5-(furan-2-yl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
• SMILES: COc1ccc(-c2nnc(CN3C(=O)N[C@@](C)(c4ccco4)C3=O)o2)cc1
• InChI: InChI=1S/C18H16N4O5/c1-18(13-4-3-9-26-13)16(23)22(17(24)19-18)10-14-20-21-15(27-14)11-5-7-12(25-2)8-6-11/h3-9H,10H2,1-2H3,(H,19,24)/t18-/m0/s1
• InChIKey: MSBDKPJRYZPZSU-SFHVURJKSA-N
• XLogP: 2.31
• TPSA: 110.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.35
LogP ≤ 5	2.31
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-(furan-2-yl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of (5S)-5-(furan-2-yl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 92786731) is (5S)-5-(furan-2-yl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione.

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

The canonical SMILES for (5S)-5-(furan-2-yl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione is COc1ccc(-c2nnc(CN3C(=O)N[C@@](C)(c4ccco4)C3=O)o2)cc1.

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

The InChIKey is MSBDKPJRYZPZSU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-18(13-4-3-9-26-13)16(23)22(17(24)19-18)10-14-20-21-15(27-14)11-5-7-12(25-2)8-6-11/h3-9H,10H2,1-2H3,(H,19,24)/t18-/m0/s1.

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

(5S)-5-(furan-2-yl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 368.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(furan-2-yl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 92786731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).