(5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one

C20H28N2O8 — CID 87130183

IUPAC(5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
SMILESCO[C@]1(C)O[C@@H]([C@H]2CN(c3ccc4c(c3)OCCO4)C(=O)O2)[C@H](CN)O[C@@]1(C)OC
InChIInChI=1S/C20H28N2O8/c1-19(24-3)20(2,25-4)30-17(15(10-21)29-19)16-11-22(18(23)28-16)12-5-6-13-14(9-12)27-8-7-26-13/h5-6,9,15-17H,7-8,10-11,21H2,1-4H3/t15-,16+,17+,19+,20+/m0/s1
InChIKeyPDZFQNZLIUVVRJ-AZNNDXHDSA-N
MW424.45 g/mol
LogP1.25
Rot. Bonds5

About (5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one

(5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 87130183) has the molecular formula C20H28N2O8 and a molecular weight of 424.45 g/mol. Its IUPAC name is (5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
PubChem CID87130183
Molecular FormulaC20H28N2O8
Molecular Weight424.45 g/mol
Exact Mass424.18
IUPAC Name(5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
SMILESCO[C@]1(C)O[C@@H]([C@H]2CN(c3ccc4c(c3)OCCO4)C(=O)O2)[C@H](CN)O[C@@]1(C)OC
InChIInChI=1S/C20H28N2O8/c1-19(24-3)20(2,25-4)30-17(15(10-21)29-19)16-11-22(18(23)28-16)12-5-6-13-14(9-12)27-8-7-26-13/h5-6,9,15-17H,7-8,10-11,21H2,1-4H3/t15-,16+,17+,19+,20+/m0/s1
InChIKeyPDZFQNZLIUVVRJ-AZNNDXHDSA-N
XLogP1.25
TPSA110.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5S)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 87130128
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one
CID 87130204
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66736976
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 25113989
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one
CID 66736524
methyl (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 94077453
6-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66736971
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(2R)-2-hydroxy-3-(2-methoxy-3,4-dihydropyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one
CID 68638926
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1R,2S)-1,2-dihydroxy-3-[(3-methoxyquinoxalin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one
CID 66737396
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine
CID 117017052
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethylpyrrolidin-3-one
CID 117018076
4-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 168689188

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one (CID 87130183) is (5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one is CO[C@]1(C)O[C@@H]([C@H]2CN(c3ccc4c(c3)OCCO4)C(=O)O2)[C@H](CN)O[C@@]1(C)OC.
What is the InChIKey of (5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?
The InChIKey is PDZFQNZLIUVVRJ-AZNNDXHDSA-N. The full InChI is InChI=1S/C20H28N2O8/c1-19(24-3)20(2,25-4)30-17(15(10-21)29-19)16-11-22(18(23)28-16)12-5-6-13-14(9-12)27-8-7-26-13/h5-6,9,15-17H,7-8,10-11,21H2,1-4H3/t15-,16+,17+,19+,20+/m0/s1.
What are the key properties of (5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?
(5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 424.45 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2R,3S,5R,6R)-3-(aminomethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 87130183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).