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

C17H19N3O4 — CID 124788167

IUPAC[(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CC[C@@H]2C[C@H](c3nnc(C4CC4)o3)O[C@H]2C1
InChIInChI=1S/C17H19N3O4/c21-17(12-4-6-22-9-12)20-5-3-11-7-13(23-14(11)8-20)16-19-18-15(24-16)10-1-2-10/h4,6,9-11,13-14H,1-3,5,7-8H2/t11-,13-,14+/m1/s1
InChIKeyATMAYVLFZQXKDG-BNOWGMLFSA-N
MW329.36 g/mol
LogP2.53
Rot. Bonds3

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

[(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone (PubChem CID 124788167) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone
PubChem CID124788167
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name[(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CC[C@@H]2C[C@H](c3nnc(C4CC4)o3)O[C@H]2C1
InChIInChI=1S/C17H19N3O4/c21-17(12-4-6-22-9-12)20-5-3-11-7-13(23-14(11)8-20)16-19-18-15(24-16)10-1-2-10/h4,6,9-11,13-14H,1-3,5,7-8H2/t11-,13-,14+/m1/s1
InChIKeyATMAYVLFZQXKDG-BNOWGMLFSA-N
XLogP2.53
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone?
The IUPAC name of [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone (CID 124788167) is [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CC[C@@H]2C[C@H](c3nnc(C4CC4)o3)O[C@H]2C1.
What is the InChIKey of [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone?
The InChIKey is ATMAYVLFZQXKDG-BNOWGMLFSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-17(12-4-6-22-9-12)20-5-3-11-7-13(23-14(11)8-20)16-19-18-15(24-16)10-1-2-10/h4,6,9-11,13-14H,1-3,5,7-8H2/t11-,13-,14+/m1/s1.
What are the key properties of [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone?
[(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone has a molecular weight of 329.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 124788167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).