[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone

C17H23N3O3 — CID 97366850

IUPAC[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@@H]1C[C@@H]2CCN(Cc3ccccn3)C[C@H]2O1)N1CCCO1
InChIInChI=1S/C17H23N3O3/c21-17(20-7-3-9-22-20)15-10-13-5-8-19(12-16(13)23-15)11-14-4-1-2-6-18-14/h1-2,4,6,13,15-16H,3,5,7-12H2/t13-,15-,16+/m0/s1
InChIKeyWCNCSEUIQBWBAV-CWRNSKLLSA-N
MW317.39 g/mol
LogP1.22
Rot. Bonds3

About [(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone

[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 97366850) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is [(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID97366850
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@@H]1C[C@@H]2CCN(Cc3ccccn3)C[C@H]2O1)N1CCCO1
InChIInChI=1S/C17H23N3O3/c21-17(20-7-3-9-22-20)15-10-13-5-8-19(12-16(13)23-15)11-14-4-1-2-6-18-14/h1-2,4,6,13,15-16H,3,5,7-12H2/t13-,15-,16+/m0/s1
InChIKeyWCNCSEUIQBWBAV-CWRNSKLLSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone with MolForge

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Related Compounds

(4aR,7aS)-6-benzyl-4-(pyridin-2-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775028
(4aR,7aS)-6-(oxan-4-yl)-4-(pyridin-2-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775040
(4aR,7aS)-4-(cyclohexylmethyl)-6-(pyridine-2-carbonyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775225
[(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
[(3aS,4R,7aS)-6-(pyridin-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97365054
[(3aR,6S,7aR)-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(oxazinan-2-yl)methanone
CID 97365107
2-[[(4aS,7R,7aR)-4-(pyridin-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 97365495
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366471
(2S,3aS,7aS)-N-cyclobutyl-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366728
(2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366929
(4aR,6S,7aR)-N-propan-2-yl-4-(pyridin-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-6-carboxamide
CID 97379430
2-[(3aR,7S,7aS)-2-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone
CID 97379950

Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone (CID 97366850) is [(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone is O=C([C@@H]1C[C@@H]2CCN(Cc3ccccn3)C[C@H]2O1)N1CCCO1.
What is the InChIKey of [(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is WCNCSEUIQBWBAV-CWRNSKLLSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-17(20-7-3-9-22-20)15-10-13-5-8-19(12-16(13)23-15)11-14-4-1-2-6-18-14/h1-2,4,6,13,15-16H,3,5,7-12H2/t13-,15-,16+/m0/s1.
What are the key properties of [(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone?
[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 97366850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).