(4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one

C17H15N3O3 — CID 98777829

About (4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one

(4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 98777829) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is (4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
• PubChem CID: 98777829
• Molecular Formula: C17H15N3O3
• Molecular Weight: 309.32 g/mol
• Exact Mass: 309.11
• IUPAC Name: (4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
• SMILES: Cc1ccc(N2C[C@H](c3noc(-c4ccco4)n3)CC2=O)cc1
• InChI: InChI=1S/C17H15N3O3/c1-11-4-6-13(7-5-11)20-10-12(9-15(20)21)16-18-17(23-19-16)14-3-2-8-22-14/h2-8,12H,9-10H2,1H3/t12-/m1/s1
• InChIKey: HKJGVZFSHDGTDA-GFCCVEGCSA-N
• XLogP: 3.16
• TPSA: 72.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.32
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one?

The IUPAC name of (4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one (CID 98777829) is (4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one.

What is the SMILES notation for (4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one?

The canonical SMILES for (4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2C[C@H](c3noc(-c4ccco4)n3)CC2=O)cc1.

What is the InChIKey of (4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one?

The InChIKey is HKJGVZFSHDGTDA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-4-6-13(7-5-11)20-10-12(9-15(20)21)16-18-17(23-19-16)14-3-2-8-22-14/h2-8,12H,9-10H2,1H3/t12-/m1/s1.

What are the key properties of (4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one?

(4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 309.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 98777829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).