[(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone

C15H26N2O4 — CID 97388800

IUPAC[(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCOCCN1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@H]2C1
InChIInChI=1S/C15H26N2O4/c1-19-10-7-16-6-3-14-13(11-16)12(4-9-20-14)15(18)17-5-2-8-21-17/h12-14H,2-11H2,1H3/t12-,13-,14-/m1/s1
InChIKeyOZBBGODAODERSY-MGPQQGTHSA-N
MW298.38 g/mol
LogP0.52
Rot. Bonds4

About [(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone

[(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 97388800) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is [(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID97388800
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name[(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCOCCN1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@H]2C1
InChIInChI=1S/C15H26N2O4/c1-19-10-7-16-6-3-14-13(11-16)12(4-9-20-14)15(18)17-5-2-8-21-17/h12-14H,2-11H2,1H3/t12-,13-,14-/m1/s1
InChIKeyOZBBGODAODERSY-MGPQQGTHSA-N
XLogP0.52
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone with MolForge

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Related Compounds

[(4R,4aR,8aR)-6-(2-ethoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97367117
5-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 168927354
[(4R,4aR,8aR)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 127023116
[(4R,4aR,8aR)-6-[(6-methyl-2-pyridinyl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97367105
[(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone
CID 133141616
[(4R,4aR,8aR)-6-(5-fluoropyrimidin-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97367107
[(4R,4aR,8aR)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 171695688
[(4R,4aS,8aR)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155832737
[(3aR,4S,7aR)-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124787127
1-(2-methoxyethyl)-5-(oxazinane-2-carbonyl)piperidin-2-one
CID 45242060
[(2R,3aS,7aS)-6-(2-ethoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 97388541
[(2R,3aR,7aR)-6-(2-ethoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 124826136

Frequently Asked Questions

What is the IUPAC name of [(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone (CID 97388800) is [(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone is COCCN1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@H]2C1.
What is the InChIKey of [(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is OZBBGODAODERSY-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-19-10-7-16-6-3-14-13(11-16)12(4-9-20-14)15(18)17-5-2-8-21-17/h12-14H,2-11H2,1H3/t12-,13-,14-/m1/s1.
What are the key properties of [(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
[(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 298.38 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 97388800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).