3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one

C16H20N4O5 — CID 145493554

IUPAC3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(CNC[C@H](O)[C@@H](O)N3CCOC3=O)c2n1
InChIInChI=1S/C16H20N4O5/c1-24-13-3-2-11-14(19-13)10(4-5-18-11)8-17-9-12(21)15(22)20-6-7-25-16(20)23/h2-5,12,15,17,21-22H,6-9H2,1H3/t12-,15+/m0/s1
InChIKeyDYMWVPVICHGHSE-SWLSCSKDSA-N
MW348.36 g/mol
LogP-0.14
Rot. Bonds7

About 3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one

3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one (PubChem CID 145493554) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one
PubChem CID145493554
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Name3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(CNC[C@H](O)[C@@H](O)N3CCOC3=O)c2n1
InChIInChI=1S/C16H20N4O5/c1-24-13-3-2-11-14(19-13)10(4-5-18-11)8-17-9-12(21)15(22)20-6-7-25-16(20)23/h2-5,12,15,17,21-22H,6-9H2,1H3/t12-,15+/m0/s1
InChIKeyDYMWVPVICHGHSE-SWLSCSKDSA-N
XLogP-0.14
TPSA117.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol
CID 68638441
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
(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
(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
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
(3S,4S)-4-[[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol
CID 11677117
(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
(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
(5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one
CID 66736945
(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
N-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]acetamide
CID 68734493
(2S)-2-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide
CID 66737319

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one (CID 145493554) is 3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one is COc1ccc2nccc(CNC[C@H](O)[C@@H](O)N3CCOC3=O)c2n1.
What is the InChIKey of 3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one?
The InChIKey is DYMWVPVICHGHSE-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-24-13-3-2-11-14(19-13)10(4-5-18-11)8-17-9-12(21)15(22)20-6-7-25-16(20)23/h2-5,12,15,17,21-22H,6-9H2,1H3/t12-,15+/m0/s1.
What are the key properties of 3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one?
3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one has a molecular weight of 348.36 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S)-1,2-dihydroxy-3-[(6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 145493554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).