[(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone

C17H23N5O3 — CID 97367356

About [(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone

[(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone (PubChem CID 97367356) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone.

Molecular Properties

• Compound Name: [(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
• PubChem CID: 97367356
• Molecular Formula: C17H23N5O3
• Molecular Weight: 345.40 g/mol
• Exact Mass: 345.18
• IUPAC Name: [(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
• SMILES: CCn1nc(C)cc1C(=O)N1CC[C@H]2O[C@@H](c3nc(C)no3)C[C@H]2C1
• InChI: InChI=1S/C17H23N5O3/c1-4-22-13(7-10(2)19-22)17(23)21-6-5-14-12(9-21)8-15(24-14)16-18-11(3)20-25-16/h7,12,14-15H,4-6,8-9H2,1-3H3/t12-,14+,15+/m0/s1
• InChIKey: QSIKSEAVPIVLJV-NWANDNLSSA-N
• XLogP: 1.90
• TPSA: 86.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.40
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?

The IUPAC name of [(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone (CID 97367356) is [(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone.

What is the SMILES notation for [(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?

The canonical SMILES for [(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone is CCn1nc(C)cc1C(=O)N1CC[C@H]2O[C@@H](c3nc(C)no3)C[C@H]2C1.

What is the InChIKey of [(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?

The InChIKey is QSIKSEAVPIVLJV-NWANDNLSSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-4-22-13(7-10(2)19-22)17(23)21-6-5-14-12(9-21)8-15(24-14)16-18-11(3)20-25-16/h7,12,14-15H,4-6,8-9H2,1-3H3/t12-,14+,15+/m0/s1.

What are the key properties of [(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?

[(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone has a molecular weight of 345.40 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 97367356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).