5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole

C17H23N3O2 — CID 95133379

About 5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 95133379) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
• PubChem CID: 95133379
• Molecular Formula: C17H23N3O2
• Molecular Weight: 301.39 g/mol
• Exact Mass: 301.18
• IUPAC Name: 5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
• SMILES: C/C(=C\c1ccco1)CN1CCC[C@@H]1c1nc(C(C)C)no1
• InChI: InChI=1S/C17H23N3O2/c1-12(2)16-18-17(22-19-16)15-7-4-8-20(15)11-13(3)10-14-6-5-9-21-14/h5-6,9-10,12,15H,4,7-8,11H2,1-3H3/b13-10+/t15-/m1/s1
• InChIKey: MAJCXGAJDVJVRY-NRMKIYEFSA-N
• XLogP: 4.03
• TPSA: 55.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.39
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?

The IUPAC name of 5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 95133379) is 5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole is C/C(=C\c1ccco1)CN1CCC[C@@H]1c1nc(C(C)C)no1.

What is the InChIKey of 5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?

The InChIKey is MAJCXGAJDVJVRY-NRMKIYEFSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)16-18-17(22-19-16)15-7-4-8-20(15)11-13(3)10-14-6-5-9-21-14/h5-6,9-10,12,15H,4,7-8,11H2,1-3H3/b13-10+/t15-/m1/s1.

What are the key properties of 5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?

5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 95133379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).