N-[(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide

C16H24N4O2 — CID 129331110

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

N-[(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide (PubChem CID 129331110) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
• PubChem CID: 129331110
• Molecular Formula: C16H24N4O2
• Molecular Weight: 304.39 g/mol
• Exact Mass: 304.19
• IUPAC Name: N-[(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
• SMILES: CC(=O)N[C@]1(c2noc(C)n2)CCN(C[C@@H]2CC=CCC2)C1
• InChI: InChI=1S/C16H24N4O2/c1-12(21)18-16(15-17-13(2)22-19-15)8-9-20(11-16)10-14-6-4-3-5-7-14/h3-4,14H,5-11H2,1-2H3,(H,18,21)/t14-,16-/m1/s1
• InChIKey: IWVRRNJAWBSDRG-GDBMZVCRSA-N
• XLogP: 1.77
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.39
LogP ≤ 5	1.77
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 N-[(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?

The IUPAC name of N-[(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide (CID 129331110) is N-[(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide.

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

The canonical SMILES for N-[(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@]1(c2noc(C)n2)CCN(C[C@@H]2CC=CCC2)C1.

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

The InChIKey is IWVRRNJAWBSDRG-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(21)18-16(15-17-13(2)22-19-15)8-9-20(11-16)10-14-6-4-3-5-7-14/h3-4,14H,5-11H2,1-2H3,(H,18,21)/t14-,16-/m1/s1.

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

N-[(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 129331110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).