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

C17H23N3O3 — CID 97362850

IUPAC[(3aR,7aR)-5-(pyridin-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(Cc1ccccn1)C2
InChIInChI=1S/C17H23N3O3/c21-16(20-8-3-10-23-20)17-6-11-22-15(17)5-9-19(13-17)12-14-4-1-2-7-18-14/h1-2,4,7,15H,3,5-6,8-13H2/t15-,17-/m1/s1
InChIKeyMBKZWWQXSQRHIX-NVXWUHKLSA-N
MW317.39 g/mol
LogP1.23
Rot. Bonds3

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

[(3aR,7aR)-5-(pyridin-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 97362850) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is [(3aR,7aR)-5-(pyridin-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(3aR,7aR)-5-(pyridin-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID97362850
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name[(3aR,7aR)-5-(pyridin-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(Cc1ccccn1)C2
InChIInChI=1S/C17H23N3O3/c21-16(20-8-3-10-23-20)17-6-11-22-15(17)5-9-19(13-17)12-14-4-1-2-7-18-14/h1-2,4,7,15H,3,5-6,8-13H2/t15-,17-/m1/s1
InChIKeyMBKZWWQXSQRHIX-NVXWUHKLSA-N
XLogP1.23
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of [(3aR,7aR)-5-(pyridin-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(3aR,7aR)-5-(pyridin-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone (CID 97362850) is [(3aR,7aR)-5-(pyridin-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(3aR,7aR)-5-(pyridin-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(3aR,7aR)-5-(pyridin-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone is O=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(Cc1ccccn1)C2.
What is the InChIKey of [(3aR,7aR)-5-(pyridin-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is MBKZWWQXSQRHIX-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16(20-8-3-10-23-20)17-6-11-22-15(17)5-9-19(13-17)12-14-4-1-2-7-18-14/h1-2,4,7,15H,3,5-6,8-13H2/t15-,17-/m1/s1.
What are the key properties of [(3aR,7aR)-5-(pyridin-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone?
[(3aR,7aR)-5-(pyridin-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aR)-5-(pyridin-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 97362850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).