[(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone

C16H19N3O4 — CID 97362754

IUPAC[(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1noc([C@@]23CCO[C@@H]2CCN(C(=O)c2occc2C)C3)n1
InChIInChI=1S/C16H19N3O4/c1-10-4-7-22-13(10)14(20)19-6-3-12-16(9-19,5-8-21-12)15-17-11(2)18-23-15/h4,7,12H,3,5-6,8-9H2,1-2H3/t12-,16-/m1/s1
InChIKeyQZWKSMMTWUUOOA-MLGOLLRUSA-N
MW317.35 g/mol
LogP1.85
Rot. Bonds2

About [(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone

[(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 97362754) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is [(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone
PubChem CID97362754
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name[(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1noc([C@@]23CCO[C@@H]2CCN(C(=O)c2occc2C)C3)n1
InChIInChI=1S/C16H19N3O4/c1-10-4-7-22-13(10)14(20)19-6-3-12-16(9-19,5-8-21-12)15-17-11(2)18-23-15/h4,7,12H,3,5-6,8-9H2,1-2H3/t12-,16-/m1/s1
InChIKeyQZWKSMMTWUUOOA-MLGOLLRUSA-N
XLogP1.85
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone (CID 97362754) is [(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone is Cc1noc([C@@]23CCO[C@@H]2CCN(C(=O)c2occc2C)C3)n1.
What is the InChIKey of [(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is QZWKSMMTWUUOOA-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-4-7-22-13(10)14(20)19-6-3-12-16(9-19,5-8-21-12)15-17-11(2)18-23-15/h4,7,12H,3,5-6,8-9H2,1-2H3/t12-,16-/m1/s1.
What are the key properties of [(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone?
[(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 317.35 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 97362754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).