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

C18H30N2O4 — CID 133141646

IUPAC[(3R,4aR,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@H]1CO[C@H]2CCN(CC3CCOCC3)C[C@H]2C1)N1CCCO1
InChIInChI=1S/C18H30N2O4/c21-18(20-5-1-7-24-20)16-10-15-12-19(6-2-17(15)23-13-16)11-14-3-8-22-9-4-14/h14-17H,1-13H2/t15-,16-,17+/m1/s1
InChIKeyXGHNXWRZFBAMJN-ZACQAIPSSA-N
MW338.45 g/mol
LogP1.30
Rot. Bonds3

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

[(3R,4aR,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 133141646) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is [(3R,4aR,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4aR,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID133141646
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name[(3R,4aR,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@H]1CO[C@H]2CCN(CC3CCOCC3)C[C@H]2C1)N1CCCO1
InChIInChI=1S/C18H30N2O4/c21-18(20-5-1-7-24-20)16-10-15-12-19(6-2-17(15)23-13-16)11-14-3-8-22-9-4-14/h14-17H,1-13H2/t15-,16-,17+/m1/s1
InChIKeyXGHNXWRZFBAMJN-ZACQAIPSSA-N
XLogP1.30
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(3R,4aR,8aS)-6-(pyridin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(oxazinan-2-yl)methanone
CID 97388433
[(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
[(3R,4aR,8aS)-6-(pyridin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 171692711
2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
CID 124788033
1-(oxan-4-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568256
methyl 1-(oxan-4-ylmethyl)pyrrolidine-3-carboxylate
CID 78957764
[(3aS,7S,7aS)-2-(oxan-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124787954
[(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124788204
1-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 67032986
ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate
CID 81338184
ethane;2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142563523
2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-(oxazinan-2-yl)ethanone;2,2,2-trifluoroacetic acid
CID 127022221

Frequently Asked Questions

What is the IUPAC name of [(3R,4aR,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(3R,4aR,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone (CID 133141646) is [(3R,4aR,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(3R,4aR,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(3R,4aR,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone is O=C([C@H]1CO[C@H]2CCN(CC3CCOCC3)C[C@H]2C1)N1CCCO1.
What is the InChIKey of [(3R,4aR,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is XGHNXWRZFBAMJN-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H30N2O4/c21-18(20-5-1-7-24-20)16-10-15-12-19(6-2-17(15)23-13-16)11-14-3-8-22-9-4-14/h14-17H,1-13H2/t15-,16-,17+/m1/s1.
What are the key properties of [(3R,4aR,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone?
[(3R,4aR,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4aR,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 133141646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).