1-[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone

C19H24N2O3 — CID 97365529

About 1-[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone

1-[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone (PubChem CID 97365529) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
• PubChem CID: 97365529
• Molecular Formula: C19H24N2O3
• Molecular Weight: 328.41 g/mol
• Exact Mass: 328.18
• IUPAC Name: 1-[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
• SMILES: O=C(C[C@H]1C=CCC1)N1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@@H]21
• InChI: InChI=1S/C19H24N2O3/c22-18(12-14-4-1-2-5-14)21-10-11-23-19-16(21)7-8-17(19)24-15-6-3-9-20-13-15/h1,3-4,6,9,13-14,16-17,19H,2,5,7-8,10-12H2/t14-,16-,17+,19+/m0/s1
• InChIKey: SFUFTDDFPOTDSM-ITQYTPKQSA-N
• XLogP: 2.58
• TPSA: 51.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.41
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone?

The IUPAC name of 1-[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone (CID 97365529) is 1-[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone.

What is the SMILES notation for 1-[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone?

The canonical SMILES for 1-[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone is O=C(C[C@H]1C=CCC1)N1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@@H]21.

What is the InChIKey of 1-[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone?

The InChIKey is SFUFTDDFPOTDSM-ITQYTPKQSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-18(12-14-4-1-2-5-14)21-10-11-23-19-16(21)7-8-17(19)24-15-6-3-9-20-13-15/h1,3-4,6,9,13-14,16-17,19H,2,5,7-8,10-12H2/t14-,16-,17+,19+/m0/s1.

What are the key properties of 1-[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone?

1-[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone has a molecular weight of 328.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone is sourced from PubChem (CID 97365529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).