2-[(1R)-cyclopent-2-en-1-yl]-1-[(4S)-4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]ethanone

C19H30N4O2 — CID 129334809

About 2-[(1R)-cyclopent-2-en-1-yl]-1-[(4S)-4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]ethanone

2-[(1R)-cyclopent-2-en-1-yl]-1-[(4S)-4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]ethanone (PubChem CID 129334809) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-1-[(4S)-4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[(1R)-cyclopent-2-en-1-yl]-1-[(4S)-4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]ethanone
• PubChem CID: 129334809
• Molecular Formula: C19H30N4O2
• Molecular Weight: 346.48 g/mol
• Exact Mass: 346.24
• IUPAC Name: 2-[(1R)-cyclopent-2-en-1-yl]-1-[(4S)-4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]ethanone
• SMILES: CCN(Cc1noc(C)n1)[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)CC1
• InChI: InChI=1S/C19H30N4O2/c1-3-22(14-18-20-15(2)25-21-18)17-9-6-11-23(12-10-17)19(24)13-16-7-4-5-8-16/h4,7,16-17H,3,5-6,8-14H2,1-2H3/t16-,17+/m1/s1
• InChIKey: HSKQLCLIPXVZOZ-SJORKVTESA-N
• XLogP: 2.94
• TPSA: 62.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.48
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	0
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 2-[(1R)-cyclopent-2-en-1-yl]-1-[(4S)-4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]ethanone?

The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(4S)-4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]ethanone (CID 129334809) is 2-[(1R)-cyclopent-2-en-1-yl]-1-[(4S)-4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]ethanone.

What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(4S)-4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]ethanone?

The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(4S)-4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]ethanone is CCN(Cc1noc(C)n1)[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)CC1.

What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(4S)-4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]ethanone?

The InChIKey is HSKQLCLIPXVZOZ-SJORKVTESA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-22(14-18-20-15(2)25-21-18)17-9-6-11-23(12-10-17)19(24)13-16-7-4-5-8-16/h4,7,16-17H,3,5-6,8-14H2,1-2H3/t16-,17+/m1/s1.

What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(4S)-4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]ethanone?

2-[(1R)-cyclopent-2-en-1-yl]-1-[(4S)-4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]ethanone has a molecular weight of 346.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(4S)-4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]ethanone is sourced from PubChem (CID 129334809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).