(5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C26H30FN7O5 — CID 11562899

IUPAC(5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCN(C)CC(O)COC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1
InChIInChI=1S/C26H30FN7O5/c1-32(2)12-19(35)15-37-16-20-10-25(30-39-20)24-6-3-17(11-28-24)22-5-4-18(9-23(22)27)34-14-21(38-26(34)36)13-33-8-7-29-31-33/h3-9,11,19-21,35H,10,12-16H2,1-2H3/t19?,20-,21-/m0/s1
InChIKeyMBJXNOLYHUHNNE-AKQSQHNNSA-N
MW539.57 g/mol
LogP1.94
Rot. Bonds11

About (5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11562899) has the molecular formula C26H30FN7O5 and a molecular weight of 539.57 g/mol. Its IUPAC name is (5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID11562899
Molecular FormulaC26H30FN7O5
Molecular Weight539.57 g/mol
Exact Mass539.23
IUPAC Name(5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCN(C)CC(O)COC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1
InChIInChI=1S/C26H30FN7O5/c1-32(2)12-19(35)15-37-16-20-10-25(30-39-20)24-6-3-17(11-28-24)22-5-4-18(9-23(22)27)34-14-21(38-26(34)36)13-33-8-7-29-31-33/h3-9,11,19-21,35H,10,12-16H2,1-2H3/t19?,20-,21-/m0/s1
InChIKeyMBJXNOLYHUHNNE-AKQSQHNNSA-N
XLogP1.94
TPSA127.43 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.57
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626128
(5R)-3-(3-fluoro-4-{6-[(1R)-1-hydroxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11603378
(5R)-3-{3-Fluoro-4-[6-(1-hydroxy-1-methylethyl)pyridin-3-yl]phenyl}-5-(1-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11668415
(5R)-3-(3-fluoro-4-{6-[(1S)-1-hydroxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23624703
(5R)-3-{3-fluoro-4-[6-(hydroxymethyl)pyridin-3-yl]phenyl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626439
(5R)-3-{3-fluoro-4-[6-(methoxymethyl)pyridin-3-yl]phenyl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626435
(5R)-3-(3-fluoro-4-{6-[(1R)-1-methoxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626436
(5R)-3-(3-fluoro-4-{6-[(1S)-1-methoxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626437
(1S,5R)-6-[5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
CID 11258898
(1S,5R)-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
CID 11293761
(1S,5R)-6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
CID 11465441
(5R)-3-(3-fluoro-4-{6-[1-hydroxy-2-(isopropylamino)ethyl]pyridin-3-yl}phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11510480

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11562899) is (5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CN(C)CC(O)COC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1.
What is the InChIKey of (5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is MBJXNOLYHUHNNE-AKQSQHNNSA-N. The full InChI is InChI=1S/C26H30FN7O5/c1-32(2)12-19(35)15-37-16-20-10-25(30-39-20)24-6-3-17(11-28-24)22-5-4-18(9-23(22)27)34-14-21(38-26(34)36)13-33-8-7-29-31-33/h3-9,11,19-21,35H,10,12-16H2,1-2H3/t19?,20-,21-/m0/s1.
What are the key properties of (5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 539.57 g/mol, XLogP of 1.94, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[6-[(5S)-5-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11562899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).