(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

C24H26N4O7 — CID 66737396

IUPAC(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
SMILESCOc1cnc2cccc(CNC[C@H](O)[C@@H](O)[C@@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
InChIInChI=1S/C24H26N4O7/c1-32-21-12-26-16-4-2-3-14(22(16)27-21)10-25-11-17(29)23(30)20-13-28(24(31)35-20)15-5-6-18-19(9-15)34-8-7-33-18/h2-6,9,12,17,20,23,25,29-30H,7-8,10-11,13H2,1H3/t17-,20-,23+/m0/s1
InChIKeyDEIHWKWALYEXEZ-KPDCDPCYSA-N
MW482.49 g/mol
LogP1.25
Rot. Bonds8

About (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

(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 (PubChem CID 66737396) has the molecular formula C24H26N4O7 and a molecular weight of 482.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID66737396
Molecular FormulaC24H26N4O7
Molecular Weight482.49 g/mol
Exact Mass482.18
IUPAC Name(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
SMILESCOc1cnc2cccc(CNC[C@H](O)[C@@H](O)[C@@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
InChIInChI=1S/C24H26N4O7/c1-32-21-12-26-16-4-2-3-14(22(16)27-21)10-25-11-17(29)23(30)20-13-28(24(31)35-20)15-5-6-18-19(9-15)34-8-7-33-18/h2-6,9,12,17,20,23,25,29-30H,7-8,10-11,13H2,1H3/t17-,20-,23+/m0/s1
InChIKeyDEIHWKWALYEXEZ-KPDCDPCYSA-N
XLogP1.25
TPSA135.50 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one
CID 68602022
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1R)-1-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one
CID 68599552
5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
CID 66736522
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1R)-1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl-methylamino]ethyl]-1,3-oxazolidin-2-one
CID 66737783
(2R)-2-amino-N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide
CID 66737929
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one
CID 25117388
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5S)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-5-hydroxypentyl]-1,3-oxazolidin-2-one
CID 66737678
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(3S)-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one
CID 66736510
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one
CID 66737018
(3S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide
CID 66736308
N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide
CID 66736876
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one
CID 25116714

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cnc2cccc(CNC[C@H](O)[C@@H](O)[C@@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1.
What is the InChIKey of (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?
The InChIKey is DEIHWKWALYEXEZ-KPDCDPCYSA-N. The full InChI is InChI=1S/C24H26N4O7/c1-32-21-12-26-16-4-2-3-14(22(16)27-21)10-25-11-17(29)23(30)20-13-28(24(31)35-20)15-5-6-18-19(9-15)34-8-7-33-18/h2-6,9,12,17,20,23,25,29-30H,7-8,10-11,13H2,1H3/t17-,20-,23+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 482.49 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 66737396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).