[(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

C17H23N3O3 — CID 97365054

IUPAC[(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
SMILESO=C([C@H]1CN(Cc2cccnc2)C[C@H]2OCC[C@@H]12)N1CCCO1
InChIInChI=1S/C17H23N3O3/c21-17(20-6-2-7-23-20)15-11-19(10-13-3-1-5-18-9-13)12-16-14(15)4-8-22-16/h1,3,5,9,14-16H,2,4,6-8,10-12H2/t14-,15-,16+/m0/s1
InChIKeyMNIMRTXGDFPJQO-HRCADAONSA-N
MW317.39 g/mol
LogP1.08
Rot. Bonds3

About [(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

[(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 (PubChem CID 97365054) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID97365054
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name[(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
SMILESO=C([C@H]1CN(Cc2cccnc2)C[C@H]2OCC[C@@H]12)N1CCCO1
InChIInChI=1S/C17H23N3O3/c21-17(20-6-2-7-23-20)15-11-19(10-13-3-1-5-18-9-13)12-16-14(15)4-8-22-16/h1,3,5,9,14-16H,2,4,6-8,10-12H2/t14-,15-,16+/m0/s1
InChIKeyMNIMRTXGDFPJQO-HRCADAONSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(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 with MolForge

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Related Compounds

N-[4-[1-[2-(oxolan-3-yl)acetyl]piperidin-4-yl]butyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510932
N-[4-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]butyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510936
N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]butyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510937
(3aR,7aR)-N-(2-methoxyethyl)-5-(pyridin-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362717
[(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
2-[(3aR,7S,7aS)-2-(pyridin-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide
CID 97364720
2-[(3aR,7S,7aS)-2-(pyridin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone
CID 97364744
[(3aS,4R,7aS)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(oxazinan-2-yl)methanone
CID 97365050
(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)-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
2-[(3aR,7S,7aS)-2-(pyridin-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(2-methoxyethyl)acetamide
CID 97379913
2-[(3aR,7S,7aS)-2-(pyridin-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-pyrrolidin-1-ylethanone
CID 97379929

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is O=C([C@H]1CN(Cc2cccnc2)C[C@H]2OCC[C@@H]12)N1CCCO1.
What is the InChIKey of [(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?
The InChIKey is MNIMRTXGDFPJQO-HRCADAONSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-17(20-6-2-7-23-20)15-11-19(10-13-3-1-5-18-9-13)12-16-14(15)4-8-22-16/h1,3,5,9,14-16H,2,4,6-8,10-12H2/t14-,15-,16+/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 317.39 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 97365054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).