(2S,3aR,7aR)-N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C16H25N3O4 — CID 124798124

About (2S,3aR,7aR)-N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2S,3aR,7aR)-N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 124798124) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is (2S,3aR,7aR)-N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,3aR,7aR)-N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 124798124
• Molecular Formula: C16H25N3O4
• Molecular Weight: 323.39 g/mol
• Exact Mass: 323.18
• IUPAC Name: (2S,3aR,7aR)-N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
• SMILES: COCCNC(=O)[C@@H]1C[C@H]2CCN(Cc3cc(C)on3)C[C@@H]2O1
• InChI: InChI=1S/C16H25N3O4/c1-11-7-13(18-23-11)9-19-5-3-12-8-14(22-15(12)10-19)16(20)17-4-6-21-2/h7,12,14-15H,3-6,8-10H2,1-2H3,(H,17,20)/t12-,14+,15+/m1/s1
• InChIKey: KMDCUXSKSQYMNB-SNPRPXQTSA-N
• XLogP: 0.73
• TPSA: 76.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.39
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,7aR)-N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of (2S,3aR,7aR)-N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 124798124) is (2S,3aR,7aR)-N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for (2S,3aR,7aR)-N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for (2S,3aR,7aR)-N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is COCCNC(=O)[C@@H]1C[C@H]2CCN(Cc3cc(C)on3)C[C@@H]2O1.

What is the InChIKey of (2S,3aR,7aR)-N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?

The InChIKey is KMDCUXSKSQYMNB-SNPRPXQTSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-11-7-13(18-23-11)9-19-5-3-12-8-14(22-15(12)10-19)16(20)17-4-6-21-2/h7,12,14-15H,3-6,8-10H2,1-2H3,(H,17,20)/t12-,14+,15+/m1/s1.

What are the key properties of (2S,3aR,7aR)-N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?

(2S,3aR,7aR)-N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3aR,7aR)-N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 124798124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).