5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

C17H24N4O2 — CID 129331176

About 5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129331176) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 129331176
• Molecular Formula: C17H24N4O2
• Molecular Weight: 316.41 g/mol
• Exact Mass: 316.19
• IUPAC Name: 5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
• SMILES: O=C(NC1CC1)c1noc([C@H]2CCCN2C[C@@H]2CC=CCC2)n1
• InChI: InChI=1S/C17H24N4O2/c22-16(18-13-8-9-13)15-19-17(23-20-15)14-7-4-10-21(14)11-12-5-2-1-3-6-12/h1-2,12-14H,3-11H2,(H,18,22)/t12-,14-/m1/s1
• InChIKey: BSSTXILGNBFAIW-TZMCWYRMSA-N
• XLogP: 2.45
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.41
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of 5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 129331176) is 5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for 5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for 5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CC1)c1noc([C@H]2CCCN2C[C@@H]2CC=CCC2)n1.

What is the InChIKey of 5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is BSSTXILGNBFAIW-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16(18-13-8-9-13)15-19-17(23-20-15)14-7-4-10-21(14)11-12-5-2-1-3-6-12/h1-2,12-14H,3-11H2,(H,18,22)/t12-,14-/m1/s1.

What are the key properties of 5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?

5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129331176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).